1-N-(2,5-dimethylphenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide

C21H25N3O2 — CID 108977845

IUPAC1-N-(2,5-dimethylphenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
SMILESCc1ccc(C)c(NC(=O)C2(C(=O)N(C)CCc3ccncc3)CC2)c1
InChIInChI=1S/C21H25N3O2/c1-15-4-5-16(2)18(14-15)23-19(25)21(9-10-21)20(26)24(3)13-8-17-6-11-22-12-7-17/h4-7,11-12,14H,8-10,13H2,1-3H3,(H,23,25)
InChIKeyJHIXXUFKRDDNBF-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.12
Rot. Bonds6

About 1-N-(2,5-dimethylphenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide

1-N-(2,5-dimethylphenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108977845) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-N-(2,5-dimethylphenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,5-dimethylphenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108977845
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-N-(2,5-dimethylphenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
SMILESCc1ccc(C)c(NC(=O)C2(C(=O)N(C)CCc3ccncc3)CC2)c1
InChIInChI=1S/C21H25N3O2/c1-15-4-5-16(2)18(14-15)23-19(25)21(9-10-21)20(26)24(3)13-8-17-6-11-22-12-7-17/h4-7,11-12,14H,8-10,13H2,1-3H3,(H,23,25)
InChIKeyJHIXXUFKRDDNBF-UHFFFAOYSA-N
XLogP3.12
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048101
1-N-(2,6-difluorophenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108977917
1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide
CID 109149196
1-N-[2-(4-chlorophenyl)ethyl]-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108977816
1-N-(2,5-dimethylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108979062
1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)-1-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977897
1-N-butyl-1-N,1-N'-dimethyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108977831
N-(2,5-dimethylphenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-5-carboxamide
CID 109260693
1-N'-methyl-1-N-(oxolan-2-ylmethyl)-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973247
1-N'-benzyl-1-N-(2,5-dimethylphenyl)-1-N'-ethylcyclopropane-1,1-dicarboxamide
CID 108976541
3-(2-methoxy-5-methylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 109026081
1-N'-benzyl-1-N-(2,4-dimethylphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108975549

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,5-dimethylphenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(2,5-dimethylphenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide (CID 108977845) is 1-N-(2,5-dimethylphenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(2,5-dimethylphenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(2,5-dimethylphenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide is Cc1ccc(C)c(NC(=O)C2(C(=O)N(C)CCc3ccncc3)CC2)c1.
What is the InChIKey of 1-N-(2,5-dimethylphenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is JHIXXUFKRDDNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-4-5-16(2)18(14-15)23-19(25)21(9-10-21)20(26)24(3)13-8-17-6-11-22-12-7-17/h4-7,11-12,14H,8-10,13H2,1-3H3,(H,23,25).
What are the key properties of 1-N-(2,5-dimethylphenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
1-N-(2,5-dimethylphenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,5-dimethylphenyl)-1-N'-methyl-1-N'-(2-pyridin-4-ylethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108977845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).