2-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]-N-cyclopentylbenzamide

C21H23N5O3 — CID 24585036

IUPAC2-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]-N-cyclopentylbenzamide
SMILESCc1nn(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)c(=O)c(C#N)c1C
InChIInChI=1S/C21H23N5O3/c1-13-14(2)25-26(21(29)17(13)11-22)12-19(27)24-18-10-6-5-9-16(18)20(28)23-15-7-3-4-8-15/h5-6,9-10,15H,3-4,7-8,12H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyLJULVRLKIILOKC-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.04
Rot. Bonds5

About 2-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]-N-cyclopentylbenzamide

2-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]-N-cyclopentylbenzamide (PubChem CID 24585036) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]-N-cyclopentylbenzamide.

Molecular Properties

Compound Name2-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]-N-cyclopentylbenzamide
PubChem CID24585036
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name2-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]-N-cyclopentylbenzamide
SMILESCc1nn(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)c(=O)c(C#N)c1C
InChIInChI=1S/C21H23N5O3/c1-13-14(2)25-26(21(29)17(13)11-22)12-19(27)24-18-10-6-5-9-16(18)20(28)23-15-7-3-4-8-15/h5-6,9-10,15H,3-4,7-8,12H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyLJULVRLKIILOKC-UHFFFAOYSA-N
XLogP2.04
TPSA116.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]-N-cyclopentylbenzamide with MolForge

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Related Compounds

2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-cyclopentylbenzamide
CID 46346640
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-methylsulfonylphenyl)acetamide
CID 9309209
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 18272367
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 8537439
N-cyclopropyl-2-[[2-(5-methyl-4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide
CID 16611778
N-cyclopentyl-2-[(2-methylsulfanylacetyl)amino]benzamide
CID 26084225
dimethyl 2-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]benzene-1,4-dicarboxylate
CID 8537509
N-cyclopentyl-2-[[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]amino]benzamide
CID 24584696
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
N-cyclopentyl-2-[[2-(2-methylphenyl)acetyl]amino]benzamide
CID 17476217
N-cyclopentyl-2-[[2-(2-ethylpiperidin-1-yl)acetyl]amino]benzamide
CID 46800658
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N,N-dicyclohexylacetamide
CID 35300602

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]-N-cyclopentylbenzamide?
The IUPAC name of 2-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]-N-cyclopentylbenzamide (CID 24585036) is 2-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]-N-cyclopentylbenzamide.
What is the SMILES notation for 2-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]-N-cyclopentylbenzamide?
The canonical SMILES for 2-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]-N-cyclopentylbenzamide is Cc1nn(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)c(=O)c(C#N)c1C.
What is the InChIKey of 2-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]-N-cyclopentylbenzamide?
The InChIKey is LJULVRLKIILOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-13-14(2)25-26(21(29)17(13)11-22)12-19(27)24-18-10-6-5-9-16(18)20(28)23-15-7-3-4-8-15/h5-6,9-10,15H,3-4,7-8,12H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of 2-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]-N-cyclopentylbenzamide?
2-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]-N-cyclopentylbenzamide has a molecular weight of 393.45 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]amino]-N-cyclopentylbenzamide is sourced from PubChem (CID 24585036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).