4,6-dimethyl-N-(4-methylphenyl)-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanylpyridine-3-carboxamide

C25H27N3O2S — CID 40985933

IUPAC4,6-dimethyl-N-(4-methylphenyl)-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanylpyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C25H27N3O2S/c1-16-10-12-21(13-11-16)28-24(30)23-17(2)14-18(3)26-25(23)31-15-22(29)27-19(4)20-8-6-5-7-9-20/h5-14,19H,15H2,1-4H3,(H,27,29)(H,28,30)/t19-/m1/s1
InChIKeyUEGLJIAJTVCWNY-LJQANCHMSA-N
MW433.58 g/mol
LogP5.23
Rot. Bonds7

About 4,6-dimethyl-N-(4-methylphenyl)-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanylpyridine-3-carboxamide

4,6-dimethyl-N-(4-methylphenyl)-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanylpyridine-3-carboxamide (PubChem CID 40985933) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is 4,6-dimethyl-N-(4-methylphenyl)-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-(4-methylphenyl)-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanylpyridine-3-carboxamide
PubChem CID40985933
Molecular FormulaC25H27N3O2S
Molecular Weight433.58 g/mol
Exact Mass433.18
IUPAC Name4,6-dimethyl-N-(4-methylphenyl)-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanylpyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)N[C@H](C)c2ccccc2)cc1
InChIInChI=1S/C25H27N3O2S/c1-16-10-12-21(13-11-16)28-24(30)23-17(2)14-18(3)26-25(23)31-15-22(29)27-19(4)20-8-6-5-7-9-20/h5-14,19H,15H2,1-4H3,(H,27,29)(H,28,30)/t19-/m1/s1
InChIKeyUEGLJIAJTVCWNY-LJQANCHMSA-N
XLogP5.23
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.58
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4,6-dimethyl-N-(4-methylphenyl)-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanylpyridine-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-(3-chlorophenyl)-4,6-dimethyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpyridine-3-carboxamide
CID 23609934
4,6-dimethyl-2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanyl-N-phenylpyridine-3-carboxamide
CID 23609750
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-phenylpyridine-3-carboxamide
CID 23609729
2-(2,4-dimethylphenyl)sulfanyl-N-(1-phenylethyl)acetamide
CID 6915473
2-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23609826
4,6-dimethyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
CID 45292904
2-(4-methylanilino)-N-(1-phenylethyl)acetamide
CID 54814142
2-[2-(3-chloroanilino)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)-4,6-dimethylpyridine-3-carboxamide
CID 23609883
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(1-phenylethyl)acetamide
CID 16560439
2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide
CID 23609825
2-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-(1-phenylethyl)acetamide
CID 16899433
N-(4-methylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30722668

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-(4-methylphenyl)-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanylpyridine-3-carboxamide?
The IUPAC name of 4,6-dimethyl-N-(4-methylphenyl)-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanylpyridine-3-carboxamide (CID 40985933) is 4,6-dimethyl-N-(4-methylphenyl)-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanylpyridine-3-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-(4-methylphenyl)-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanylpyridine-3-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-(4-methylphenyl)-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanylpyridine-3-carboxamide is Cc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)N[C@H](C)c2ccccc2)cc1.
What is the InChIKey of 4,6-dimethyl-N-(4-methylphenyl)-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanylpyridine-3-carboxamide?
The InChIKey is UEGLJIAJTVCWNY-LJQANCHMSA-N. The full InChI is InChI=1S/C25H27N3O2S/c1-16-10-12-21(13-11-16)28-24(30)23-17(2)14-18(3)26-25(23)31-15-22(29)27-19(4)20-8-6-5-7-9-20/h5-14,19H,15H2,1-4H3,(H,27,29)(H,28,30)/t19-/m1/s1.
What are the key properties of 4,6-dimethyl-N-(4-methylphenyl)-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanylpyridine-3-carboxamide?
4,6-dimethyl-N-(4-methylphenyl)-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanylpyridine-3-carboxamide has a molecular weight of 433.58 g/mol, XLogP of 5.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-(4-methylphenyl)-2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 40985933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).