5-chloro-N-[(3-chlorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide

C14H12Cl2N2O2 — CID 149227651

IUPAC5-chloro-N-[(3-chlorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)NCc2cccc(Cl)c2)cc(Cl)c1=O
InChIInChI=1S/C14H12Cl2N2O2/c1-18-8-10(6-12(16)14(18)20)13(19)17-7-9-3-2-4-11(15)5-9/h2-6,8H,7H2,1H3,(H,17,19)
InChIKeyXJRMUPMEWLAEEF-UHFFFAOYSA-N
MW311.17 g/mol
LogP2.62
Rot. Bonds3

About 5-chloro-N-[(3-chlorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide

5-chloro-N-[(3-chlorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 149227651) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 5-chloro-N-[(3-chlorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3-chlorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID149227651
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name5-chloro-N-[(3-chlorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)NCc2cccc(Cl)c2)cc(Cl)c1=O
InChIInChI=1S/C14H12Cl2N2O2/c1-18-8-10(6-12(16)14(18)20)13(19)17-7-9-3-2-4-11(15)5-9/h2-6,8H,7H2,1H3,(H,17,19)
InChIKeyXJRMUPMEWLAEEF-UHFFFAOYSA-N
XLogP2.62
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 51158730
N,1-dibenzyl-5-chloro-6-oxopyridine-3-carboxamide
CID 1485997
N-[(3-chlorophenyl)methyl]-5-methylthiophene-3-carboxamide
CID 1246739
N-[(3-chlorophenyl)methyl]-3,4,5-trifluorobenzamide
CID 63188835
N-[(3-chlorophenyl)methyl]-4-(methoxymethyl)benzamide
CID 51176578
1-methyl-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110692988
N-[(3-chlorophenyl)methyl]-3-hydroxy-4-methylbenzamide
CID 60699247
N-[(3-chlorophenyl)methyl]-3-(dimethylamino)benzamide
CID 7922599
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628
N-[(3-fluorophenyl)methyl]-1-methyl-6-oxo-5-pyridin-2-ylpyridine-3-carboxamide
CID 160904999
N-[(3-chlorophenyl)methyl]-4-fluoro-2-methylbenzamide
CID 113268545
N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide
CID 2681202

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-chlorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[(3-chlorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide (CID 149227651) is 5-chloro-N-[(3-chlorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3-chlorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[(3-chlorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide is Cn1cc(C(=O)NCc2cccc(Cl)c2)cc(Cl)c1=O.
What is the InChIKey of 5-chloro-N-[(3-chlorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is XJRMUPMEWLAEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c1-18-8-10(6-12(16)14(18)20)13(19)17-7-9-3-2-4-11(15)5-9/h2-6,8H,7H2,1H3,(H,17,19).
What are the key properties of 5-chloro-N-[(3-chlorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide?
5-chloro-N-[(3-chlorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 311.17 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-chlorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 149227651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).