2-chloro-N-(2-ethoxyphenyl)pyridine-3-carboxamide

C14H13ClN2O2 — CID 4177275

IUPAC2-chloro-N-(2-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cccnc1Cl
InChIInChI=1S/C14H13ClN2O2/c1-2-19-12-8-4-3-7-11(12)17-14(18)10-6-5-9-16-13(10)15/h3-9H,2H2,1H3,(H,17,18)
InChIKeyYEXNJEZEIRVNPW-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.39
Rot. Bonds4

About 2-chloro-N-(2-ethoxyphenyl)pyridine-3-carboxamide

2-chloro-N-(2-ethoxyphenyl)pyridine-3-carboxamide (PubChem CID 4177275) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-chloro-N-(2-ethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethoxyphenyl)pyridine-3-carboxamide
PubChem CID4177275
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name2-chloro-N-(2-ethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cccnc1Cl
InChIInChI=1S/C14H13ClN2O2/c1-2-19-12-8-4-3-7-11(12)17-14(18)10-6-5-9-16-13(10)15/h3-9H,2H2,1H3,(H,17,18)
InChIKeyYEXNJEZEIRVNPW-UHFFFAOYSA-N
XLogP3.39
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-N-(2-ethoxyphenyl)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

Related Compounds

2-(4-Chlorophenoxy)nicotinamide
CID 2774902
Picafibrate
CID 68773
N-(3-methoxyphenyl)nicotinamide
CID 668900
N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 532821
N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 532822
2-Chloro-N-(4-methoxyphenyl)-3-pyridinecarboxamide
CID 840301
2-(3-Chlorophenoxy)nicotinamide
CID 1211466
N-(5-chloro-2-methoxyphenyl)-2-(pyridin-3-ylcarbonyl)hydrazinecarbothioamide
CID 972336
4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10524875
2-(4-chlorophenoxy)-N-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide
CID 44586151
2-(4-chlorophenoxy)-N-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]pyridine-3-carboxamide
CID 44586152
2-(4-chlorophenoxy)-N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]pyridine-3-carboxamide
CID 44586153

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-ethoxyphenyl)pyridine-3-carboxamide (CID 4177275) is 2-chloro-N-(2-ethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-ethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-ethoxyphenyl)pyridine-3-carboxamide is CCOc1ccccc1NC(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(2-ethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is YEXNJEZEIRVNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-2-19-12-8-4-3-7-11(12)17-14(18)10-6-5-9-16-13(10)15/h3-9H,2H2,1H3,(H,17,18).
What are the key properties of 2-chloro-N-(2-ethoxyphenyl)pyridine-3-carboxamide?
2-chloro-N-(2-ethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 276.72 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 4177275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).