N-(4-acetylphenyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide

C14H11ClN2O3 — CID 110861200

IUPACN-(4-acetylphenyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2c[nH]c(=O)c(Cl)c2)cc1
InChIInChI=1S/C14H11ClN2O3/c1-8(18)9-2-4-11(5-3-9)17-13(19)10-6-12(15)14(20)16-7-10/h2-7H,1H3,(H,16,20)(H,17,19)
InChIKeyBIUYZLPPHXQWSL-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.48
Rot. Bonds3

About N-(4-acetylphenyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide

N-(4-acetylphenyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 110861200) has the molecular formula C14H11ClN2O3 and a molecular weight of 290.71 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide
PubChem CID110861200
Molecular FormulaC14H11ClN2O3
Molecular Weight290.71 g/mol
Exact Mass290.05
IUPAC NameN-(4-acetylphenyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2c[nH]c(=O)c(Cl)c2)cc1
InChIInChI=1S/C14H11ClN2O3/c1-8(18)9-2-4-11(5-3-9)17-13(19)10-6-12(15)14(20)16-7-10/h2-7H,1H3,(H,16,20)(H,17,19)
InChIKeyBIUYZLPPHXQWSL-UHFFFAOYSA-N
XLogP2.48
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide (CID 110861200) is N-(4-acetylphenyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide is CC(=O)c1ccc(NC(=O)c2c[nH]c(=O)c(Cl)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is BIUYZLPPHXQWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O3/c1-8(18)9-2-4-11(5-3-9)17-13(19)10-6-12(15)14(20)16-7-10/h2-7H,1H3,(H,16,20)(H,17,19).
What are the key properties of N-(4-acetylphenyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide?
N-(4-acetylphenyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 290.71 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-5-chloro-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 110861200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).