2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide

C19H16N2O2S — CID 2111300

IUPAC2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H16N2O2S/c1-24-19-17(8-5-13-20-19)18(22)21-14-9-11-16(12-10-14)23-15-6-3-2-4-7-15/h2-13H,1H3,(H,21,22)
InChIKeyFTNYFXZGRAVSTQ-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.85
Rot. Bonds5

About 2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide

2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide (PubChem CID 2111300) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
PubChem CID2111300
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
SMILESCSc1ncccc1C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H16N2O2S/c1-24-19-17(8-5-13-20-19)18(22)21-14-9-11-16(12-10-14)23-15-6-3-2-4-7-15/h2-13H,1H3,(H,21,22)
InChIKeyFTNYFXZGRAVSTQ-UHFFFAOYSA-N
XLogP4.85
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methylsulfanyl-N-(4-phenoxyphenyl)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

N-[4-(3-methylphenoxy)phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 2511417
2-methylsulfanyl-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 2446896
2-methyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 110862622
N-(4-methoxyphenyl)-2-phenoxypyridine-3-carboxamide
CID 24513637
2-hydroxy-4-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzoic acid
CID 43171833
N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 84575248
2-[5-[(2-methylsulfanylpyridine-3-carbonyl)amino]-2-pyridinyl]acetic acid
CID 107339030
N-(3-bromophenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 926519
N-(4-acetamido-3-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 46550282
5-[(2-methylsulfanylpyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 63154428
2-iodo-N-(4-phenoxyphenyl)benzamide
CID 1010138
2-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]acetic acid
CID 65346541

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide (CID 2111300) is 2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide is CSc1ncccc1C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide?
The InChIKey is FTNYFXZGRAVSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-24-19-17(8-5-13-20-19)18(22)21-14-9-11-16(12-10-14)23-15-6-3-2-4-7-15/h2-13H,1H3,(H,21,22).
What are the key properties of 2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide?
2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 2111300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).