5-chloro-1-methyl-2-oxo-N-phenylpyridine-3-carboxamide

C13H11ClN2O2 — CID 1486141

IUPAC5-chloro-1-methyl-2-oxo-N-phenylpyridine-3-carboxamide
SMILESCn1cc(Cl)cc(C(=O)Nc2ccccc2)c1=O
InChIInChI=1S/C13H11ClN2O2/c1-16-8-9(14)7-11(13(16)18)12(17)15-10-5-3-2-4-6-10/h2-8H,1H3,(H,15,17)
InChIKeyBKTMRSFNWPHMAS-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.29
Rot. Bonds2

About 5-chloro-1-methyl-2-oxo-N-phenylpyridine-3-carboxamide

5-chloro-1-methyl-2-oxo-N-phenylpyridine-3-carboxamide (PubChem CID 1486141) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 5-chloro-1-methyl-2-oxo-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-1-methyl-2-oxo-N-phenylpyridine-3-carboxamide
PubChem CID1486141
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name5-chloro-1-methyl-2-oxo-N-phenylpyridine-3-carboxamide
SMILESCn1cc(Cl)cc(C(=O)Nc2ccccc2)c1=O
InChIInChI=1S/C13H11ClN2O2/c1-16-8-9(14)7-11(13(16)18)12(17)15-10-5-3-2-4-6-10/h2-8H,1H3,(H,15,17)
InChIKeyBKTMRSFNWPHMAS-UHFFFAOYSA-N
XLogP2.29
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-2-oxo-N-phenylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-1-methyl-2-oxo-N-phenylpyridine-3-carboxamide (CID 1486141) is 5-chloro-1-methyl-2-oxo-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-1-methyl-2-oxo-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-1-methyl-2-oxo-N-phenylpyridine-3-carboxamide is Cn1cc(Cl)cc(C(=O)Nc2ccccc2)c1=O.
What is the InChIKey of 5-chloro-1-methyl-2-oxo-N-phenylpyridine-3-carboxamide?
The InChIKey is BKTMRSFNWPHMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-16-8-9(14)7-11(13(16)18)12(17)15-10-5-3-2-4-6-10/h2-8H,1H3,(H,15,17).
What are the key properties of 5-chloro-1-methyl-2-oxo-N-phenylpyridine-3-carboxamide?
5-chloro-1-methyl-2-oxo-N-phenylpyridine-3-carboxamide has a molecular weight of 262.70 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-2-oxo-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 1486141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).