N-(3-chloro-2-methylphenyl)-4-oxo-1H-pyridine-2-carboxamide

C13H11ClN2O2 — CID 110859043

IUPACN-(3-chloro-2-methylphenyl)-4-oxo-1H-pyridine-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(=O)cc[nH]1
InChIInChI=1S/C13H11ClN2O2/c1-8-10(14)3-2-4-11(8)16-13(18)12-7-9(17)5-6-15-12/h2-7H,1H3,(H,15,17)(H,16,18)
InChIKeyHGMOKDQJFOBTRE-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.59
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-4-oxo-1H-pyridine-2-carboxamide

N-(3-chloro-2-methylphenyl)-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 110859043) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-oxo-1H-pyridine-2-carboxamide
PubChem CID110859043
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC NameN-(3-chloro-2-methylphenyl)-4-oxo-1H-pyridine-2-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cc(=O)cc[nH]1
InChIInChI=1S/C13H11ClN2O2/c1-8-10(14)3-2-4-11(8)16-13(18)12-7-9(17)5-6-15-12/h2-7H,1H3,(H,15,17)(H,16,18)
InChIKeyHGMOKDQJFOBTRE-UHFFFAOYSA-N
XLogP2.59
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(3-chloro-2-methylphenyl)urea
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CID 53087379
N-(3-chloro-2-methylphenyl)-4-ethylbenzamide
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N-(3-chloro-2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 19508080
N-(3-chloro-2-methylphenyl)-6-methylpyridine-2-carboxamide
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N-(3-chloro-2-methylphenyl)-3,5-dimethoxybenzamide
CID 795808
N-(3-chloro-2-methylphenyl)-4-(tetrazolidin-5-yl)benzamide
CID 73390326
2-(3-chloro-2-methylanilino)-4-oxo-1H-pyridine-3-carboxylic acid
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N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-oxo-1H-pyridine-2-carboxamide (CID 110859043) is N-(3-chloro-2-methylphenyl)-4-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-oxo-1H-pyridine-2-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cc(=O)cc[nH]1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-oxo-1H-pyridine-2-carboxamide?
The InChIKey is HGMOKDQJFOBTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-8-10(14)3-2-4-11(8)16-13(18)12-7-9(17)5-6-15-12/h2-7H,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-oxo-1H-pyridine-2-carboxamide?
N-(3-chloro-2-methylphenyl)-4-oxo-1H-pyridine-2-carboxamide has a molecular weight of 262.70 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 110859043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).