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

C14H13ClN2O2 — CID 110856202

IUPACN-[2-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-2-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1cc(=O)cc[nH]1
InChIInChI=1S/C14H13ClN2O2/c15-11-3-1-2-10(8-11)4-6-17-14(19)13-9-12(18)5-7-16-13/h1-3,5,7-9H,4,6H2,(H,16,18)(H,17,19)
InChIKeyOKAATEUABZYWND-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.00
Rot. Bonds4

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

N-[2-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-2-carboxamide (PubChem CID 110856202) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-2-carboxamide
PubChem CID110856202
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-2-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1cc(=O)cc[nH]1
InChIInChI=1S/C14H13ClN2O2/c15-11-3-1-2-10(8-11)4-6-17-14(19)13-9-12(18)5-7-16-13/h1-3,5,7-9H,4,6H2,(H,16,18)(H,17,19)
InChIKeyOKAATEUABZYWND-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-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 873795
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
2-(3-chlorophenyl)ethylurea
CID 127513466
3,4-dichloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 888038
N-[2-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 844160
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
N-[2-(3-chlorophenyl)ethyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide
CID 25255713
N-[2-(3-chlorophenyl)ethyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112529546
2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 61112878
3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 28722348
methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069
2-amino-6-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 63658240

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-2-carboxamide (CID 110856202) is N-[2-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-2-carboxamide is O=C(NCCc1cccc(Cl)c1)c1cc(=O)cc[nH]1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-2-carboxamide?
The InChIKey is OKAATEUABZYWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-11-3-1-2-10(8-11)4-6-17-14(19)13-9-12(18)5-7-16-13/h1-3,5,7-9H,4,6H2,(H,16,18)(H,17,19).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-2-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-2-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-(3-chlorophenyl)ethyl]-4-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 110856202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).