N-(2-methylsulfanylphenyl)pyridine-4-carboxamide

C13H12N2OS — CID 1244343

IUPACN-(2-methylsulfanylphenyl)pyridine-4-carboxamide
SMILESCSc1ccccc1NC(=O)c1ccncc1
InChIInChI=1S/C13H12N2OS/c1-17-12-5-3-2-4-11(12)15-13(16)10-6-8-14-9-7-10/h2-9H,1H3,(H,15,16)
InChIKeyLNHTZWDTPVEENH-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.06
Rot. Bonds3

About N-(2-methylsulfanylphenyl)pyridine-4-carboxamide

N-(2-methylsulfanylphenyl)pyridine-4-carboxamide (PubChem CID 1244343) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is N-(2-methylsulfanylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanylphenyl)pyridine-4-carboxamide
PubChem CID1244343
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC NameN-(2-methylsulfanylphenyl)pyridine-4-carboxamide
SMILESCSc1ccccc1NC(=O)c1ccncc1
InChIInChI=1S/C13H12N2OS/c1-17-12-5-3-2-4-11(12)15-13(16)10-6-8-14-9-7-10/h2-9H,1H3,(H,15,16)
InChIKeyLNHTZWDTPVEENH-UHFFFAOYSA-N
XLogP3.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-methylsulfanylphenyl)pyridine-4-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

4-iodo-N-(2-methylsulfanylphenyl)benzamide
CID 2238716
4-chloro-N-(2-methylsulfanylphenyl)benzamide
CID 2091832
4-(methylamino)-N-(2-methylsulfanylphenyl)benzamide
CID 107643040
N-[3-methylsulfanyl-2-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 70178570
N-(2-bromophenyl)pyridine-4-carboxamide
CID 882176
N-(2-tert-butylphenyl)pyridine-4-carboxamide
CID 2446338
N-[5-(pyridine-4-carbonylamino)naphthalen-1-yl]pyridine-4-carboxamide
CID 101437440
N-(2-chlorophenyl)pyridine-4-carboxamide;hydrochloride
CID 110756414
N-(2,3-difluorophenyl)pyridine-4-carboxamide
CID 47450883
3-amino-N-(2-methylsulfanylphenyl)benzamide
CID 43702687
N-(2-methylsulfanylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465229
N-[2-[hydroxy(phenyl)methyl]phenyl]pyridine-4-carboxamide
CID 13101314

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanylphenyl)pyridine-4-carboxamide?
The IUPAC name of N-(2-methylsulfanylphenyl)pyridine-4-carboxamide (CID 1244343) is N-(2-methylsulfanylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-methylsulfanylphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-methylsulfanylphenyl)pyridine-4-carboxamide is CSc1ccccc1NC(=O)c1ccncc1.
What is the InChIKey of N-(2-methylsulfanylphenyl)pyridine-4-carboxamide?
The InChIKey is LNHTZWDTPVEENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-17-12-5-3-2-4-11(12)15-13(16)10-6-8-14-9-7-10/h2-9H,1H3,(H,15,16).
What are the key properties of N-(2-methylsulfanylphenyl)pyridine-4-carboxamide?
N-(2-methylsulfanylphenyl)pyridine-4-carboxamide has a molecular weight of 244.32 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 1244343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).