N-butyl-3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-methylbenzamide

C22H26N4O3 — CID 46346546

IUPACN-butyl-3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1cccc(NC(=O)Cn2c(C)cc(C)c(C#N)c2=O)c1
InChIInChI=1S/C22H26N4O3/c1-5-6-10-25(4)21(28)17-8-7-9-18(12-17)24-20(27)14-26-16(3)11-15(2)19(13-23)22(26)29/h7-9,11-12H,5-6,10,14H2,1-4H3,(H,24,27)
InChIKeyZNDZZSUOJYKQOS-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.85
Rot. Bonds7

About N-butyl-3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-methylbenzamide

N-butyl-3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-methylbenzamide (PubChem CID 46346546) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-butyl-3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound NameN-butyl-3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-methylbenzamide
PubChem CID46346546
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-butyl-3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1cccc(NC(=O)Cn2c(C)cc(C)c(C#N)c2=O)c1
InChIInChI=1S/C22H26N4O3/c1-5-6-10-25(4)21(28)17-8-7-9-18(12-17)24-20(27)14-26-16(3)11-15(2)19(13-23)22(26)29/h7-9,11-12H,5-6,10,14H2,1-4H3,(H,24,27)
InChIKeyZNDZZSUOJYKQOS-UHFFFAOYSA-N
XLogP2.85
TPSA95.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-butyl-3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-methylbenzamide 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
butyl 4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzoate
CID 126415850
3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 46346516
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
N-(2-bromo-4,5-dimethylphenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide
CID 126415451
3-N-butyl-1-N-(4-cyanophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056438
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 86207798
3-N-butyl-1-N-(3,4-dimethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056365
4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 46346575

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-methylbenzamide?
The IUPAC name of N-butyl-3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-methylbenzamide (CID 46346546) is N-butyl-3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for N-butyl-3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for N-butyl-3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-methylbenzamide is CCCCN(C)C(=O)c1cccc(NC(=O)Cn2c(C)cc(C)c(C#N)c2=O)c1.
What is the InChIKey of N-butyl-3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-methylbenzamide?
The InChIKey is ZNDZZSUOJYKQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-5-6-10-25(4)21(28)17-8-7-9-18(12-17)24-20(27)14-26-16(3)11-15(2)19(13-23)22(26)29/h7-9,11-12H,5-6,10,14H2,1-4H3,(H,24,27).
What are the key properties of N-butyl-3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-methylbenzamide?
N-butyl-3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-methylbenzamide has a molecular weight of 394.48 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 46346546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).