N-(3-hydroxybutyl)-2-phenylsulfanylpyridine-3-carboxamide

C16H18N2O2S — CID 111428918

IUPACN-(3-hydroxybutyl)-2-phenylsulfanylpyridine-3-carboxamide
SMILESCC(O)CCNC(=O)c1cccnc1Sc1ccccc1
InChIInChI=1S/C16H18N2O2S/c1-12(19)9-11-17-15(20)14-8-5-10-18-16(14)21-13-6-3-2-4-7-13/h2-8,10,12,19H,9,11H2,1H3,(H,17,20)
InChIKeyXKGCKHQAHQVSHZ-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.73
Rot. Bonds6

About N-(3-hydroxybutyl)-2-phenylsulfanylpyridine-3-carboxamide

N-(3-hydroxybutyl)-2-phenylsulfanylpyridine-3-carboxamide (PubChem CID 111428918) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-2-phenylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-2-phenylsulfanylpyridine-3-carboxamide
PubChem CID111428918
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC NameN-(3-hydroxybutyl)-2-phenylsulfanylpyridine-3-carboxamide
SMILESCC(O)CCNC(=O)c1cccnc1Sc1ccccc1
InChIInChI=1S/C16H18N2O2S/c1-12(19)9-11-17-15(20)14-8-5-10-18-16(14)21-13-6-3-2-4-7-13/h2-8,10,12,19H,9,11H2,1H3,(H,17,20)
InChIKeyXKGCKHQAHQVSHZ-UHFFFAOYSA-N
XLogP2.73
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-hydroxybutyl)-2-phenylsulfanylpyridine-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

N-(4-hydroxy-2-methylpentyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 111447058
2-(2,4-dimethylphenyl)sulfanyl-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 111433755
N-hexyl-2-phenylsulfanylpyridine-3-carboxamide
CID 32647200
N-(1-hydroxypropan-2-yl)-2-phenylsulfanylpyridine-3-carboxamide
CID 78856709
2-chloro-N-[(3R)-3-hydroxybutyl]pyridine-3-carboxamide
CID 86323911
2-bromo-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 103755462
2-(cyclohexylmethylsulfanyl)-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 111433504
2-phenylsulfanyl-N-(2-quinolin-8-ylethyl)pyridine-3-carboxamide
CID 18285449
N-[2-(3-methoxyphenoxy)ethyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 46399858
N-[(3-fluoro-4-methylphenyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 18153619
2-phenylsulfanyl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyridine-3-carboxamide
CID 30377466
N-(3-hydroxybutyl)-2-(2-methylpropoxy)pyridine-3-carboxamide
CID 111429038

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-2-phenylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-2-phenylsulfanylpyridine-3-carboxamide (CID 111428918) is N-(3-hydroxybutyl)-2-phenylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-2-phenylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-2-phenylsulfanylpyridine-3-carboxamide is CC(O)CCNC(=O)c1cccnc1Sc1ccccc1.
What is the InChIKey of N-(3-hydroxybutyl)-2-phenylsulfanylpyridine-3-carboxamide?
The InChIKey is XKGCKHQAHQVSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-12(19)9-11-17-15(20)14-8-5-10-18-16(14)21-13-6-3-2-4-7-13/h2-8,10,12,19H,9,11H2,1H3,(H,17,20).
What are the key properties of N-(3-hydroxybutyl)-2-phenylsulfanylpyridine-3-carboxamide?
N-(3-hydroxybutyl)-2-phenylsulfanylpyridine-3-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-2-phenylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 111428918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).