5-chloro-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide

C14H13ClN2O2 — CID 110850820

IUPAC5-chloro-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1cccc(CNC(=O)c2c[nH]c(=O)c(Cl)c2)c1
InChIInChI=1S/C14H13ClN2O2/c1-9-3-2-4-10(5-9)7-16-13(18)11-6-12(15)14(19)17-8-11/h2-6,8H,7H2,1H3,(H,16,18)(H,17,19)
InChIKeyAKZCWAFWPIBDRI-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.27
Rot. Bonds3

About 5-chloro-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide

5-chloro-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 110850820) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 5-chloro-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID110850820
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name5-chloro-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1cccc(CNC(=O)c2c[nH]c(=O)c(Cl)c2)c1
InChIInChI=1S/C14H13ClN2O2/c1-9-3-2-4-10(5-9)7-16-13(18)11-6-12(15)14(19)17-8-11/h2-6,8H,7H2,1H3,(H,16,18)(H,17,19)
InChIKeyAKZCWAFWPIBDRI-UHFFFAOYSA-N
XLogP2.27
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 38295590
5-chloro-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 110850809
4-amino-3,5-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 82793892
2,6-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 159197280
5-chloro-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
CID 110852311
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide
CID 110851769
2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 99835975
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
CID 134067704
3-N-(2-chlorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054323
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 90099980
N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 110850770
1-methyl-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110692988

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 110850820) is 5-chloro-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide is Cc1cccc(CNC(=O)c2c[nH]c(=O)c(Cl)c2)c1.
What is the InChIKey of 5-chloro-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is AKZCWAFWPIBDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-9-3-2-4-10(5-9)7-16-13(18)11-6-12(15)14(19)17-8-11/h2-6,8H,7H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 5-chloro-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
5-chloro-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 276.72 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-methylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 110850820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).