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Home > Pyridines > 439111-96-3
439111-96-3 | 4-(3-methylbutanoyl)-N-[2-(pyridin-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CAS No: 439111-96-3 Catalog No: AG00IYZR MDL No:MFCD03012622
Product Description
Catalog Number:
AG00IYZR
Chemical Name:
4-(3-methylbutanoyl)-N-[2-(pyridin-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CAS Number:
439111-96-3
Molecular Formula:
C17H21N3O2
Molecular Weight:
299.3675
MDL Number:
MFCD03012622
IUPAC Name:
4-(3-methylbutanoyl)-N-(2-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C17H21N3O2/c1-12(2)9-16(21)13-10-15(20-11-13)17(22)19-8-6-14-5-3-4-7-18-14/h3-5,7,10-12,20H,6,8-9H2,1-2H3,(H,19,22)
InChI Key:
HRZMRHLNPUWMPX-UHFFFAOYSA-N
SMILES:
CC(CC(=O)c1c[nH]c(c1)C(=O)NCCc1ccccn1)C
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.163g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.374g/mol
Monoisotopic Mass:
299.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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