1-benzyl-N-(3-chloro-2-methylphenyl)-2-oxopyridine-3-carboxamide

C20H17ClN2O2 — CID 7422717

IUPAC1-benzyl-N-(3-chloro-2-methylphenyl)-2-oxopyridine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cccn(Cc2ccccc2)c1=O
InChIInChI=1S/C20H17ClN2O2/c1-14-17(21)10-5-11-18(14)22-19(24)16-9-6-12-23(20(16)25)13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,22,24)
InChIKeyDYUJHDUUVXMUME-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.11
Rot. Bonds4

About 1-benzyl-N-(3-chloro-2-methylphenyl)-2-oxopyridine-3-carboxamide

1-benzyl-N-(3-chloro-2-methylphenyl)-2-oxopyridine-3-carboxamide (PubChem CID 7422717) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 1-benzyl-N-(3-chloro-2-methylphenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(3-chloro-2-methylphenyl)-2-oxopyridine-3-carboxamide
PubChem CID7422717
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name1-benzyl-N-(3-chloro-2-methylphenyl)-2-oxopyridine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cccn(Cc2ccccc2)c1=O
InChIInChI=1S/C20H17ClN2O2/c1-14-17(21)10-5-11-18(14)22-19(24)16-9-6-12-23(20(16)25)13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,22,24)
InChIKeyDYUJHDUUVXMUME-UHFFFAOYSA-N
XLogP4.11
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-(2,3-dichlorophenyl)-2-oxopyridine-3-carboxamide
CID 7422695
1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-2-oxopyridine-3-carboxamide
CID 7598504
N-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7597913
1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 82107998
N-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7599190
1-benzyl-N-(1H-indol-4-yl)-2-oxopyridine-3-carboxamide
CID 71934158
1-[(4-chlorophenyl)methyl]-N-(2-methylsulfanylphenyl)-2-oxopyridine-3-carboxamide
CID 7598033
N-(3-acetylphenyl)-1-benzyl-2-oxopyridine-3-carboxamide
CID 7422689
ethyl 2-[[1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 110382640
1-[(4-bromophenyl)methyl]-N-(2-ethylphenyl)-2-oxopyridine-3-carboxamide
CID 26843761
1-benzyl-N-(3-bromophenyl)-2-oxopyridine-3-carboxamide
CID 7422670
N-(3-chloro-2-methylphenyl)-2-(propylamino)benzamide
CID 62186612

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-chloro-2-methylphenyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(3-chloro-2-methylphenyl)-2-oxopyridine-3-carboxamide (CID 7422717) is 1-benzyl-N-(3-chloro-2-methylphenyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(3-chloro-2-methylphenyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(3-chloro-2-methylphenyl)-2-oxopyridine-3-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cccn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-N-(3-chloro-2-methylphenyl)-2-oxopyridine-3-carboxamide?
The InChIKey is DYUJHDUUVXMUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-14-17(21)10-5-11-18(14)22-19(24)16-9-6-12-23(20(16)25)13-15-7-3-2-4-8-15/h2-12H,13H2,1H3,(H,22,24).
What are the key properties of 1-benzyl-N-(3-chloro-2-methylphenyl)-2-oxopyridine-3-carboxamide?
1-benzyl-N-(3-chloro-2-methylphenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 352.82 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-chloro-2-methylphenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7422717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).