4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide

C25H24N4O3S — CID 46346575

IUPAC4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide
SMILESCSc1ccc(CNC(=O)c2ccc(NC(=O)Cn3c(C)cc(C)c(C#N)c3=O)cc2)cc1
InChIInChI=1S/C25H24N4O3S/c1-16-12-17(2)29(25(32)22(16)13-26)15-23(30)28-20-8-6-19(7-9-20)24(31)27-14-18-4-10-21(33-3)11-5-18/h4-12H,14-15H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyXDXAEKRDHPBENM-UHFFFAOYSA-N
MW460.56 g/mol
LogP3.63
Rot. Bonds7

About 4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide

4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide (PubChem CID 46346575) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is 4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide
PubChem CID46346575
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC Name4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide
SMILESCSc1ccc(CNC(=O)c2ccc(NC(=O)Cn3c(C)cc(C)c(C#N)c3=O)cc2)cc1
InChIInChI=1S/C25H24N4O3S/c1-16-12-17(2)29(25(32)22(16)13-26)15-23(30)28-20-8-6-19(7-9-20)24(31)27-14-18-4-10-21(33-3)11-5-18/h4-12H,14-15H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyXDXAEKRDHPBENM-UHFFFAOYSA-N
XLogP3.63
TPSA103.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide with MolForge

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Related Compounds

4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzoic acid
CID 53331259
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-fluorophenyl)acetamide
CID 5306782
4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide
CID 46346596
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-propan-2-ylphenyl)acetamide
CID 2746405
N-[[4-(butanoylamino)phenyl]methyl]-4-methylsulfanylbenzamide
CID 78887137
4-acetamido-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 60574288
butyl 4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzoate
CID 126415850
2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(pyridin-4-ylmethyl)benzamide
CID 46346674
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 86207798
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(3-methylphenyl)acetamide
CID 22424061
N-[(3-chloro-4-fluorophenyl)methyl]-2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzamide
CID 46346672
3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 46346516

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The IUPAC name of 4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide (CID 46346575) is 4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The canonical SMILES for 4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide is CSc1ccc(CNC(=O)c2ccc(NC(=O)Cn3c(C)cc(C)c(C#N)c3=O)cc2)cc1.
What is the InChIKey of 4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide?
The InChIKey is XDXAEKRDHPBENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c1-16-12-17(2)29(25(32)22(16)13-26)15-23(30)28-20-8-6-19(7-9-20)24(31)27-14-18-4-10-21(33-3)11-5-18/h4-12H,14-15H2,1-3H3,(H,27,31)(H,28,30).
What are the key properties of 4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide?
4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide has a molecular weight of 460.56 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide is sourced from PubChem (CID 46346575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).