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439112-11-5 | 4-(2-ethylbutanoyl)-N-[(pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CAS No: 439112-11-5 Catalog No: AG00IZ06 MDL No:MFCD03012327
Product Description
Catalog Number:
AG00IZ06
Chemical Name:
4-(2-ethylbutanoyl)-N-[(pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CAS Number:
439112-11-5
Molecular Formula:
C17H21N3O2
Molecular Weight:
299.3675
MDL Number:
MFCD03012327
IUPAC Name:
4-(2-ethylbutanoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C17H21N3O2/c1-3-13(4-2)16(21)14-8-15(19-11-14)17(22)20-10-12-6-5-7-18-9-12/h5-9,11,13,19H,3-4,10H2,1-2H3,(H,20,22)
InChI Key:
XFBJOFMHFOKPSC-UHFFFAOYSA-N
SMILES:
CCC(C(=O)c1c[nH]c(c1)C(=O)NCc1cccnc1)CC
Properties
Complexity:
382
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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