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

C22H24N4O3 — CID 46346640

IUPAC2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-cyclopentylbenzamide
SMILESCc1cc(C)n(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)c(=O)c1C#N
InChIInChI=1S/C22H24N4O3/c1-14-11-15(2)26(22(29)18(14)12-23)13-20(27)25-19-10-6-5-9-17(19)21(28)24-16-7-3-4-8-16/h5-6,9-11,16H,3-4,7-8,13H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyJOTDMRZWADLTCR-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.65
Rot. Bonds5

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

2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-cyclopentylbenzamide (PubChem CID 46346640) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-cyclopentylbenzamide.

Molecular Properties

Compound Name2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-cyclopentylbenzamide
PubChem CID46346640
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-cyclopentylbenzamide
SMILESCc1cc(C)n(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)c(=O)c1C#N
InChIInChI=1S/C22H24N4O3/c1-14-11-15(2)26(22(29)18(14)12-23)13-20(27)25-19-10-6-5-9-17(19)21(28)24-16-7-3-4-8-16/h5-6,9-11,16H,3-4,7-8,13H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyJOTDMRZWADLTCR-UHFFFAOYSA-N
XLogP2.65
TPSA103.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]-N-cyclopentylbenzamide
CID 24585036
2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(pyridin-4-ylmethyl)benzamide
CID 46346674
N-[(3-chloro-4-fluorophenyl)methyl]-2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzamide
CID 46346672
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 86207797
N-cyclopentyl-2-[[2-(2-methylphenyl)acetyl]amino]benzamide
CID 17476217
N-cyclopentyl-2-[(2-methylsulfanylacetyl)amino]benzamide
CID 26084225
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2-methyl-5-nitrophenyl)acetamide
CID 126416168
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-fluorophenyl)acetamide
CID 5306782
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
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-(3-methylphenyl)acetamide
CID 22424061
N-cyclopentyl-2-[[2-(2-ethylpiperidin-1-yl)acetyl]amino]benzamide
CID 46800658

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-cyclopentylbenzamide?
The IUPAC name of 2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-cyclopentylbenzamide (CID 46346640) is 2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-cyclopentylbenzamide.
What is the SMILES notation for 2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-cyclopentylbenzamide?
The canonical SMILES for 2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-cyclopentylbenzamide is Cc1cc(C)n(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)c(=O)c1C#N.
What is the InChIKey of 2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-cyclopentylbenzamide?
The InChIKey is JOTDMRZWADLTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-11-15(2)26(22(29)18(14)12-23)13-20(27)25-19-10-6-5-9-17(19)21(28)24-16-7-3-4-8-16/h5-6,9-11,16H,3-4,7-8,13H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-cyclopentylbenzamide?
2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-cyclopentylbenzamide has a molecular weight of 392.46 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-cyclopentylbenzamide is sourced from PubChem (CID 46346640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).