1-[(2-chlorophenyl)methyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-oxopyridine-3-carboxamide

C23H21ClN4O2 — CID 16574521

IUPAC1-[(2-chlorophenyl)methyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-oxopyridine-3-carboxamide
SMILESCc1nc2ccccc2n1CCNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C23H21ClN4O2/c1-16-26-20-8-4-5-9-21(20)28(16)13-12-25-23(30)18-10-11-22(29)27(15-18)14-17-6-2-3-7-19(17)24/h2-11,15H,12-14H2,1H3,(H,25,30)
InChIKeyORZBWVPJYNGHBV-UHFFFAOYSA-N
MW420.90 g/mol
LogP3.64
Rot. Bonds6

About 1-[(2-chlorophenyl)methyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-oxopyridine-3-carboxamide

1-[(2-chlorophenyl)methyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-oxopyridine-3-carboxamide (PubChem CID 16574521) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-oxopyridine-3-carboxamide
PubChem CID16574521
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-oxopyridine-3-carboxamide
SMILESCc1nc2ccccc2n1CCNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1
InChIInChI=1S/C23H21ClN4O2/c1-16-26-20-8-4-5-9-21(20)28(16)13-12-25-23(30)18-10-11-22(29)27(15-18)14-17-6-2-3-7-19(17)24/h2-11,15H,12-14H2,1H3,(H,25,30)
InChIKeyORZBWVPJYNGHBV-UHFFFAOYSA-N
XLogP3.64
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyridine-3-carboxamide
CID 40716431
1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
CID 16573910
1-[(2-chlorophenyl)methyl]-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-oxopyridine-3-carboxamide
CID 167967928
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 16984277
1-[(2-chlorophenyl)methyl]-N-[2-(methylamino)propyl]-6-oxopyridine-3-carboxamide
CID 120827036
1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole
CID 709571
N'-benzoyl-1-[(2-chlorophenyl)methyl]-6-oxopyridine-3-carbohydrazide
CID 24546266
N-[3-[2-(2-methylbenzimidazol-1-yl)ethylamino]-3-oxopropyl]benzamide
CID 26444000
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 40716581
2-chloro-6-fluoro-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 110292027
4-chloro-N-[(2S)-1-[2-(2-methylbenzimidazol-1-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 55935379
1-[(2-chlorophenyl)methyl]-6-oxo-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 18128601

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-oxopyridine-3-carboxamide (CID 16574521) is 1-[(2-chlorophenyl)methyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-oxopyridine-3-carboxamide is Cc1nc2ccccc2n1CCNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-oxopyridine-3-carboxamide?
The InChIKey is ORZBWVPJYNGHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-16-26-20-8-4-5-9-21(20)28(16)13-12-25-23(30)18-10-11-22(29)27(15-18)14-17-6-2-3-7-19(17)24/h2-11,15H,12-14H2,1H3,(H,25,30).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-oxopyridine-3-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-oxopyridine-3-carboxamide has a molecular weight of 420.90 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 16574521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).