4-chloro-N-ethylpyridine-2-carboxamide

C8H9ClN2O — CID 22832131

IUPAC4-chloro-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C8H9ClN2O/c1-2-10-8(12)7-5-6(9)3-4-11-7/h3-5H,2H2,1H3,(H,10,12)
InChIKeyKBQBJOVQVQXLPO-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.48
Rot. Bonds2

About 4-chloro-N-ethylpyridine-2-carboxamide

4-chloro-N-ethylpyridine-2-carboxamide (PubChem CID 22832131) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 4-chloro-N-ethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-ethylpyridine-2-carboxamide
PubChem CID22832131
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name4-chloro-N-ethylpyridine-2-carboxamide
SMILESCCNC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C8H9ClN2O/c1-2-10-8(12)7-5-6(9)3-4-11-7/h3-5H,2H2,1H3,(H,10,12)
InChIKeyKBQBJOVQVQXLPO-UHFFFAOYSA-N
XLogP1.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-ethylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethylpyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-ethylpyridine-2-carboxamide (CID 22832131) is 4-chloro-N-ethylpyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-ethylpyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-ethylpyridine-2-carboxamide is CCNC(=O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-ethylpyridine-2-carboxamide?
The InChIKey is KBQBJOVQVQXLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-2-10-8(12)7-5-6(9)3-4-11-7/h3-5H,2H2,1H3,(H,10,12).
What are the key properties of 4-chloro-N-ethylpyridine-2-carboxamide?
4-chloro-N-ethylpyridine-2-carboxamide has a molecular weight of 184.63 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethylpyridine-2-carboxamide is sourced from PubChem (CID 22832131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).