2-(2,5-dimethylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

C20H19N3OS — CID 24628486

IUPAC2-(2,5-dimethylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccc(C)c(Sc2ncccc2C(=O)NCc2ccncc2)c1
InChIInChI=1S/C20H19N3OS/c1-14-5-6-15(2)18(12-14)25-20-17(4-3-9-22-20)19(24)23-13-16-7-10-21-11-8-16/h3-12H,13H2,1-2H3,(H,23,24)
InChIKeyHCAGPCWPAAJIRB-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.17
Rot. Bonds5

About 2-(2,5-dimethylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide

2-(2,5-dimethylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 24628486) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
PubChem CID24628486
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCc1ccc(C)c(Sc2ncccc2C(=O)NCc2ccncc2)c1
InChIInChI=1S/C20H19N3OS/c1-14-5-6-15(2)18(12-14)25-20-17(4-3-9-22-20)19(24)23-13-16-7-10-21-11-8-16/h3-12H,13H2,1-2H3,(H,23,24)
InChIKeyHCAGPCWPAAJIRB-UHFFFAOYSA-N
XLogP4.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,5-dimethylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)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-(2-benzamidoethyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 38196668
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 24655217
2-(2,5-dimethylphenyl)sulfanyl-N-[2-(pyridin-4-ylmethyl)pyrazol-3-yl]pyridine-3-carboxamide
CID 8892613
methyl 3-[[2-(2,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]propanoate
CID 4791741
2-methylsulfanyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 121165300
2-(2,4-dimethylphenyl)sulfanyl-N-(3-hydroxybutyl)pyridine-3-carboxamide
CID 111433755
N-[(3-fluoro-4-methylphenyl)methyl]-2-phenylsulfanylpyridine-3-carboxamide
CID 18153619
2-(2,4-dimethylphenyl)sulfanyl-N-[2-[(4-hydroxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 55870004
N-cyclopropyl-2-(2,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 32620499
ethyl 4-[[2-(2,5-dimethylphenyl)sulfanylpyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 24654691
N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 4882766
2-(difluoromethylsulfanyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 18167359

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide (CID 24628486) is 2-(2,5-dimethylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is Cc1ccc(C)c(Sc2ncccc2C(=O)NCc2ccncc2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is HCAGPCWPAAJIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-14-5-6-15(2)18(12-14)25-20-17(4-3-9-22-20)19(24)23-13-16-7-10-21-11-8-16/h3-12H,13H2,1-2H3,(H,23,24).
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
2-(2,5-dimethylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 24628486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).