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Home > Pyridines > 439111-62-3
439111-62-3 | 4-(4-methylbenzoyl)-N-[(pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CAS No: 439111-62-3 Catalog No: AG00IRYE MDL No:MFCD03012604
Product Description
Catalog Number:
AG00IRYE
Chemical Name:
4-(4-methylbenzoyl)-N-[(pyridin-3-yl)methyl]-1H-pyrrole-2-carboxamide
CAS Number:
439111-62-3
Molecular Formula:
C19H17N3O2
Molecular Weight:
319.3572
MDL Number:
MFCD03012604
IUPAC Name:
4-(4-methylbenzoyl)-N-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxamide
InChI:
InChI=1S/C19H17N3O2/c1-13-4-6-15(7-5-13)18(23)16-9-17(21-12-16)19(24)22-11-14-3-2-8-20-10-14/h2-10,12,21H,11H2,1H3,(H,22,24)
InChI Key:
AKUSAGKQOOTFQC-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)c1c[nH]c(c1)C(=O)NCc1cccnc1
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.132g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
319.364g/mol
Monoisotopic Mass:
319.132g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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