N-[2-(4-chlorophenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide

C15H15ClN2OS — CID 2117002

IUPACN-[2-(4-chlorophenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2OS/c1-20-15-13(3-2-9-18-15)14(19)17-10-8-11-4-6-12(16)7-5-11/h2-7,9H,8,10H2,1H3,(H,17,19)
InChIKeyTVYFMVIQPQWQOZ-UHFFFAOYSA-N
MW306.82 g/mol
LogP3.43
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide

N-[2-(4-chlorophenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 2117002) has the molecular formula C15H15ClN2OS and a molecular weight of 306.82 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID2117002
Molecular FormulaC15H15ClN2OS
Molecular Weight306.82 g/mol
Exact Mass306.06
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H15ClN2OS/c1-20-15-13(3-2-9-18-15)14(19)17-10-8-11-4-6-12(16)7-5-11/h2-7,9H,8,10H2,1H3,(H,17,19)
InChIKeyTVYFMVIQPQWQOZ-UHFFFAOYSA-N
XLogP3.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.82
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-chlorophenyl)ethyl]-2-methylsulfanylpyridine-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

Gsk3787
CID 2800647
N-[(4-chlorophenyl)methyl]pyridine-3-carboxamide
CID 790421
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(2-pyridin-2-ylsulfanylethylamino)methyl]piperidin-1-yl]methanone
CID 132257069
6-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
CID 2566057
6-chloro-N-(4-methylphenyl)pyridine-3-carboxamide
CID 2664862
N-[2-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 571790
N-Benzyl-6-chloro-nicotinamide
CID 857488
N3-(4-methylbenzyl)-2-[(3-chlorophenyl)thio]nicotinamide
CID 2799786
N3-Benzyl-2-chloronicotinamide
CID 2794855
2-(methylthio)-N-(3-pyridinylmethyl)benzamide
CID 1243089
2-(methylsulfanyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 2088327
N'-{2-[(4-chlorophenyl)thio]acetyl}nicotinohydrazide
CID 2233073

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide (CID 2117002) is N-[2-(4-chlorophenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide is CSc1ncccc1C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is TVYFMVIQPQWQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2OS/c1-20-15-13(3-2-9-18-15)14(19)17-10-8-11-4-6-12(16)7-5-11/h2-7,9H,8,10H2,1H3,(H,17,19).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 306.82 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 2117002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).