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

C26H26N4O5 — CID 46346516

IUPAC3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(2,4-dimethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(NC(=O)Cn3c(C)cc(C)c(C#N)c3=O)c2)c(OC)c1
InChIInChI=1S/C26H26N4O5/c1-16-10-17(2)30(26(33)22(16)13-27)15-24(31)29-20-7-5-6-18(11-20)25(32)28-14-19-8-9-21(34-3)12-23(19)35-4/h5-12H,14-15H2,1-4H3,(H,28,32)(H,29,31)
InChIKeyHYUCCUQPOXCENN-UHFFFAOYSA-N
MW474.52 g/mol
LogP2.92
Rot. Bonds8

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

3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(2,4-dimethoxyphenyl)methyl]benzamide (PubChem CID 46346516) has the molecular formula C26H26N4O5 and a molecular weight of 474.52 g/mol. Its IUPAC name is 3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(2,4-dimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(2,4-dimethoxyphenyl)methyl]benzamide
PubChem CID46346516
Molecular FormulaC26H26N4O5
Molecular Weight474.52 g/mol
Exact Mass474.19
IUPAC Name3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(2,4-dimethoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(NC(=O)Cn3c(C)cc(C)c(C#N)c3=O)c2)c(OC)c1
InChIInChI=1S/C26H26N4O5/c1-16-10-17(2)30(26(33)22(16)13-27)15-24(31)29-20-7-5-6-18(11-20)25(32)28-14-19-8-9-21(34-3)12-23(19)35-4/h5-12H,14-15H2,1-4H3,(H,28,32)(H,29,31)
InChIKeyHYUCCUQPOXCENN-UHFFFAOYSA-N
XLogP2.92
TPSA122.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-(3-bromophenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide
CID 126417064
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(3-methylphenyl)acetamide
CID 22424061
N-butyl-3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-methylbenzamide
CID 46346546
4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 46346575
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-fluorophenyl)acetamide
CID 5306782
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2,6-dichlorophenyl)acetamide
CID 126415856
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-propan-2-ylphenyl)acetamide
CID 2746405
butyl 4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzoate
CID 126415850
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide
CID 71822155
2-(2,5-dimethylpyrrol-1-yl)-N-(3-methoxyphenyl)acetamide
CID 21383169
N-[(2,4-dimethoxyphenyl)methyl]-9-oxofluorene-2-carboxamide
CID 55577076
N-[(5-acetamido-2-methoxyphenyl)methyl]-3-methoxybenzamide
CID 110784129

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(2,4-dimethoxyphenyl)methyl]benzamide?
The IUPAC name of 3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(2,4-dimethoxyphenyl)methyl]benzamide (CID 46346516) is 3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(2,4-dimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(2,4-dimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(2,4-dimethoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2cccc(NC(=O)Cn3c(C)cc(C)c(C#N)c3=O)c2)c(OC)c1.
What is the InChIKey of 3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(2,4-dimethoxyphenyl)methyl]benzamide?
The InChIKey is HYUCCUQPOXCENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O5/c1-16-10-17(2)30(26(33)22(16)13-27)15-24(31)29-20-7-5-6-18(11-20)25(32)28-14-19-8-9-21(34-3)12-23(19)35-4/h5-12H,14-15H2,1-4H3,(H,28,32)(H,29,31).
What are the key properties of 3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(2,4-dimethoxyphenyl)methyl]benzamide?
3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(2,4-dimethoxyphenyl)methyl]benzamide has a molecular weight of 474.52 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(2,4-dimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 46346516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).