N-[(2-chlorophenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide

C13H11ClN2O2 — CID 110600760

IUPACN-[(2-chlorophenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cc[nH]c(=O)c1
InChIInChI=1S/C13H11ClN2O2/c14-11-4-2-1-3-10(11)8-16-13(18)9-5-6-15-12(17)7-9/h1-7H,8H2,(H,15,17)(H,16,18)
InChIKeyOOLZOHDCMCXJGU-UHFFFAOYSA-N
MW262.70 g/mol
LogP1.96
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide

N-[(2-chlorophenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 110600760) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
PubChem CID110600760
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC NameN-[(2-chlorophenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cc[nH]c(=O)c1
InChIInChI=1S/C13H11ClN2O2/c14-11-4-2-1-3-10(11)8-16-13(18)9-5-6-15-12(17)7-9/h1-7H,8H2,(H,15,17)(H,16,18)
InChIKeyOOLZOHDCMCXJGU-UHFFFAOYSA-N
XLogP1.96
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 17471917
N-[[2-(methoxymethyl)phenyl]methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103762844
N-(2-chlorophenyl)-2-oxo-1H-pyridine-4-carboxamide
CID 110600737
3-N-[(2-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054654
4-bromo-N-[(2-chlorophenyl)methyl]-3-hydroxybenzamide
CID 103830389
N-[(2-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 110698237
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
3-N-tert-butyl-1-N-[(2-chlorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054733
N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 881091
N-[(2-chlorophenyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832010
N-[(2-chlorophenyl)methyl]-2-[(2-chlorophenyl)methylamino]pyridine-4-carboxamide
CID 109170717
[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]boronic acid
CID 138991708

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide (CID 110600760) is N-[(2-chlorophenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide is O=C(NCc1ccccc1Cl)c1cc[nH]c(=O)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is OOLZOHDCMCXJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-11-4-2-1-3-10(11)8-16-13(18)9-5-6-15-12(17)7-9/h1-7H,8H2,(H,15,17)(H,16,18).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 262.70 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 110600760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).