N-[2-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide

C14H13ClN2O2 — CID 2496968

IUPACN-[2-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H13ClN2O2/c15-12-4-1-10(2-5-12)7-8-16-14(19)11-3-6-13(18)17-9-11/h1-6,9H,7-8H2,(H,16,19)(H,17,18)
InChIKeyKOVAIYNVSZWMTN-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.00
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 2496968) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID2496968
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H13ClN2O2/c15-12-4-1-10(2-5-12)7-8-16-14(19)11-3-6-13(18)17-9-11/h1-6,9H,7-8H2,(H,16,19)(H,17,18)
InChIKeyKOVAIYNVSZWMTN-UHFFFAOYSA-N
XLogP2.00
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 2496968) is N-[2-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is KOVAIYNVSZWMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-12-4-1-10(2-5-12)7-8-16-14(19)11-3-6-13(18)17-9-11/h1-6,9H,7-8H2,(H,16,19)(H,17,18).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 276.72 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 2496968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).