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Home > Pyridines > 478040-34-5
478040-34-5 | 4-benzoyl-N-[(pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CAS No: 478040-34-5 Catalog No: AG00IY0X MDL No:MFCD02186424
Product Description
Catalog Number:
AG00IY0X
Chemical Name:
4-benzoyl-N-[(pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CAS Number:
478040-34-5
Molecular Formula:
C18H15N3O2
Molecular Weight:
305.3306
MDL Number:
MFCD02186424
IUPAC Name:
4-benzoyl-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C18H15N3O2/c22-17(14-6-2-1-3-7-14)15-9-16(20-12-15)18(23)21-11-13-5-4-8-19-10-13/h1-10,12,20H,11H2,(H,21,23)
InChI Key:
PUJQRNWLZOKULI-UHFFFAOYSA-N
SMILES:
O=C(c1c[nH]c(c1)C(=O)NCc1cccnc1)c1ccccc1
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
305.337g/mol
Monoisotopic Mass:
305.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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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