N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide

C13H11ClN2O2 — CID 17471917

IUPACN-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H11ClN2O2/c14-11-4-2-1-3-9(11)7-16-13(18)10-5-6-12(17)15-8-10/h1-6,8H,7H2,(H,15,17)(H,16,18)
InChIKeyHOKHXKXPQSPWGN-UHFFFAOYSA-N
MW262.70 g/mol
LogP1.96
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide

N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 17471917) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID17471917
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC NameN-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H11ClN2O2/c14-11-4-2-1-3-9(11)7-16-13(18)10-5-6-12(17)15-8-10/h1-6,8H,7H2,(H,15,17)(H,16,18)
InChIKeyHOKHXKXPQSPWGN-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]-2-oxo-1H-pyridine-4-carboxamide
CID 110600760
[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]boronic acid
CID 138991708
N-[(3-chloro-4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 46921250
1-N-[(2-chlorophenyl)methyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043860
N-[[3-(chloromethyl)phenyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 114040983
1-N-[(2-chlorophenyl)methyl]-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109047321
N-[(4-hydroxyphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 115577610
N-[(2-chlorophenyl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832010
6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
CID 2090847
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]-4-(cyanomethyl)benzamide
CID 82178844

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 17471917) is N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(NCc1ccccc1Cl)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is HOKHXKXPQSPWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c14-11-4-2-1-3-9(11)7-16-13(18)10-5-6-12(17)15-8-10/h1-6,8H,7H2,(H,15,17)(H,16,18).
What are the key properties of N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-6-oxo-1H-pyridine-3-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]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 17471917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).