2-amino-5-cyano-6-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-N-phenylpyridine-3-carboxamide

C24H19N5O2S — CID 155968405

IUPAC2-amino-5-cyano-6-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-N-phenylpyridine-3-carboxamide
SMILESCc1c(CSc2nc(N)c(C(=O)Nc3ccccc3)cc2C#N)noc1-c1ccccc1
InChIInChI=1S/C24H19N5O2S/c1-15-20(29-31-21(15)16-8-4-2-5-9-16)14-32-24-17(13-25)12-19(22(26)28-24)23(30)27-18-10-6-3-7-11-18/h2-12H,14H2,1H3,(H2,26,28)(H,27,30)
InChIKeyFTYCVTJNAXTEHW-UHFFFAOYSA-N
MW441.52 g/mol
LogP5.04
Rot. Bonds6

About 2-amino-5-cyano-6-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-N-phenylpyridine-3-carboxamide

2-amino-5-cyano-6-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-N-phenylpyridine-3-carboxamide (PubChem CID 155968405) has the molecular formula C24H19N5O2S and a molecular weight of 441.52 g/mol. Its IUPAC name is 2-amino-5-cyano-6-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-cyano-6-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-N-phenylpyridine-3-carboxamide
PubChem CID155968405
Molecular FormulaC24H19N5O2S
Molecular Weight441.52 g/mol
Exact Mass441.13
IUPAC Name2-amino-5-cyano-6-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-N-phenylpyridine-3-carboxamide
SMILESCc1c(CSc2nc(N)c(C(=O)Nc3ccccc3)cc2C#N)noc1-c1ccccc1
InChIInChI=1S/C24H19N5O2S/c1-15-20(29-31-21(15)16-8-4-2-5-9-16)14-32-24-17(13-25)12-19(22(26)28-24)23(30)27-18-10-6-3-7-11-18/h2-12H,14H2,1H3,(H2,26,28)(H,27,30)
InChIKeyFTYCVTJNAXTEHW-UHFFFAOYSA-N
XLogP5.04
TPSA117.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.52
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-amino-5-cyano-6-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-N-phenylpyridine-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

2-amino-5-cyano-6-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 36624834
2-amino-5-cyano-6-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 31753049
2-amino-5-cyano-6-[2-(dimethylamino)-2-oxo-1-phenylethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 55392955
2-amino-5-cyano-6-[2-(3-methylbutylamino)-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 25474181
2-amino-5-cyano-6-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-N-phenylpyridine-3-carboxamide
CID 55579149
2-amino-5-cyano-6-[1-(2,6-dimethylanilino)-1-oxopropan-2-yl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 55423113
2-amino-5-cyano-6-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 31752648
2-amino-5-cyano-6-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 55368988
2-amino-5-cyano-6-[(8-methyl-7-oxo-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-12-yl)methylsulfanyl]-N-phenylpyridine-3-carboxamide
CID 55753277
2-amino-6-[1-(3-chloroanilino)-1-oxopropan-2-yl]sulfanyl-5-cyano-N-phenylpyridine-3-carboxamide
CID 55369002
5-cyano-2-methyl-6-[[(2S)-oxan-2-yl]methylsulfanyl]-N-phenylpyridine-3-carboxamide
CID 30036453
2-amino-6-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]sulfanyl-5-cyano-N-phenylpyridine-3-carboxamide
CID 42918572

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-cyano-6-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-N-phenylpyridine-3-carboxamide?
The IUPAC name of 2-amino-5-cyano-6-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-N-phenylpyridine-3-carboxamide (CID 155968405) is 2-amino-5-cyano-6-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-cyano-6-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-cyano-6-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-N-phenylpyridine-3-carboxamide is Cc1c(CSc2nc(N)c(C(=O)Nc3ccccc3)cc2C#N)noc1-c1ccccc1.
What is the InChIKey of 2-amino-5-cyano-6-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-N-phenylpyridine-3-carboxamide?
The InChIKey is FTYCVTJNAXTEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O2S/c1-15-20(29-31-21(15)16-8-4-2-5-9-16)14-32-24-17(13-25)12-19(22(26)28-24)23(30)27-18-10-6-3-7-11-18/h2-12H,14H2,1H3,(H2,26,28)(H,27,30).
What are the key properties of 2-amino-5-cyano-6-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-N-phenylpyridine-3-carboxamide?
2-amino-5-cyano-6-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-N-phenylpyridine-3-carboxamide has a molecular weight of 441.52 g/mol, XLogP of 5.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-cyano-6-[(4-methyl-5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 155968405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).