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439120-74-8 | 4-(2-ethylbutanoyl)-N-[(pyridin-2-yl)methyl]-1H-pyrrole-2-carboxamide
CAS No: 439120-74-8 Catalog No: AG00IZ5N MDL No:MFCD03012372
Product Description
Catalog Number:
AG00IZ5N
Chemical Name:
4-(2-ethylbutanoyl)-N-[(pyridin-2-yl)methyl]-1H-pyrrole-2-carboxamide
CAS Number:
439120-74-8
Molecular Formula:
C17H21N3O2
Molecular Weight:
299.3675
MDL Number:
MFCD03012372
IUPAC Name:
4-(2-ethylbutanoyl)-N-(pyridin-2-ylmethyl)-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C17H21N3O2/c1-3-12(4-2)16(21)13-9-15(19-10-13)17(22)20-11-14-7-5-6-8-18-14/h5-10,12,19H,3-4,11H2,1-2H3,(H,20,22)
InChI Key:
QCDQJWIHENBIBW-UHFFFAOYSA-N
SMILES:
CCC(C(=O)c1c[nH]c(c1)C(=O)NCc1ccccn1)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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