N-benzyl-N-(2-chlorophenyl)-6-ethyl-2-methyl-4-oxo-1H-pyridine-3-carboxamide

C22H21ClN2O2 — CID 70357942

IUPACN-benzyl-N-(2-chlorophenyl)-6-ethyl-2-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCc1cc(=O)c(C(=O)N(Cc2ccccc2)c2ccccc2Cl)c(C)[nH]1
InChIInChI=1S/C22H21ClN2O2/c1-3-17-13-20(26)21(15(2)24-17)22(27)25(14-16-9-5-4-6-10-16)19-12-8-7-11-18(19)23/h4-13H,3,14H2,1-2H3,(H,24,26)
InChIKeyZGYQMHBDAFVBBR-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.75
Rot. Bonds5

About N-benzyl-N-(2-chlorophenyl)-6-ethyl-2-methyl-4-oxo-1H-pyridine-3-carboxamide

N-benzyl-N-(2-chlorophenyl)-6-ethyl-2-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 70357942) has the molecular formula C22H21ClN2O2 and a molecular weight of 380.88 g/mol. Its IUPAC name is N-benzyl-N-(2-chlorophenyl)-6-ethyl-2-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-chlorophenyl)-6-ethyl-2-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID70357942
Molecular FormulaC22H21ClN2O2
Molecular Weight380.88 g/mol
Exact Mass380.13
IUPAC NameN-benzyl-N-(2-chlorophenyl)-6-ethyl-2-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCc1cc(=O)c(C(=O)N(Cc2ccccc2)c2ccccc2Cl)c(C)[nH]1
InChIInChI=1S/C22H21ClN2O2/c1-3-17-13-20(26)21(15(2)24-17)22(27)25(14-16-9-5-4-6-10-16)19-12-8-7-11-18(19)23/h4-13H,3,14H2,1-2H3,(H,24,26)
InChIKeyZGYQMHBDAFVBBR-UHFFFAOYSA-N
XLogP4.75
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-butyl-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 70357963
N-benzyl-4-oxo-2,6-dipentyl-N-phenyl-1H-pyridine-3-carboxamide
CID 70357969
N-benzyl-2-(furan-2-yl)-6-methyl-N-(2-methylphenyl)-4-oxo-1H-pyridine-3-carboxamide
CID 70358096
N-benzyl-N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 70387162
propan-2-yl N-benzyl-N-(2-chlorophenyl)carbamate
CID 13258029
N-benzyl-6-methyl-2-(3-methylphenyl)-4-oxo-N-phenyl-1H-pyridine-3-carboxamide
CID 70357885
2-(N-acetyl-2-chloroanilino)-N-benzyl-N-phenylacetamide
CID 113171250
N-benzyl-5-bromo-6-ethyl-N-(2-ethyl-6-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 70357864
3-(N-acetyl-2-chloroanilino)-N-benzyl-N-ethylpropanamide
CID 113127046
3-[(N-(4-chlorobenzoyl)-2-ethylanilino)methyl]benzoic acid
CID 84558995
N-benzyl-5-bromo-N-[2,6-di(propan-2-yl)phenyl]-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 70417997
N-benzyl-4-chloro-2-methyl-N-pyridin-2-yl-1H-pyrazol-2-ium-5-carboxamide
CID 5069932

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-chlorophenyl)-6-ethyl-2-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-benzyl-N-(2-chlorophenyl)-6-ethyl-2-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 70357942) is N-benzyl-N-(2-chlorophenyl)-6-ethyl-2-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-chlorophenyl)-6-ethyl-2-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-N-(2-chlorophenyl)-6-ethyl-2-methyl-4-oxo-1H-pyridine-3-carboxamide is CCc1cc(=O)c(C(=O)N(Cc2ccccc2)c2ccccc2Cl)c(C)[nH]1.
What is the InChIKey of N-benzyl-N-(2-chlorophenyl)-6-ethyl-2-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ZGYQMHBDAFVBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O2/c1-3-17-13-20(26)21(15(2)24-17)22(27)25(14-16-9-5-4-6-10-16)19-12-8-7-11-18(19)23/h4-13H,3,14H2,1-2H3,(H,24,26).
What are the key properties of N-benzyl-N-(2-chlorophenyl)-6-ethyl-2-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-benzyl-N-(2-chlorophenyl)-6-ethyl-2-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-chlorophenyl)-6-ethyl-2-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 70357942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).