2-N-(3,5-dimethylphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide

C21H25N3O2 — CID 109138093

IUPAC2-N-(3,5-dimethylphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)C2CC2C(=O)N(C)CCc2ccncc2)c1
InChIInChI=1S/C21H25N3O2/c1-14-10-15(2)12-17(11-14)23-20(25)18-13-19(18)21(26)24(3)9-6-16-4-7-22-8-5-16/h4-5,7-8,10-12,18-19H,6,9,13H2,1-3H3,(H,23,25)
InChIKeyYQQGTWNLKOSULY-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.97
Rot. Bonds6

About 2-N-(3,5-dimethylphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide

2-N-(3,5-dimethylphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109138093) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-N-(3,5-dimethylphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(3,5-dimethylphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109138093
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-N-(3,5-dimethylphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)C2CC2C(=O)N(C)CCc2ccncc2)c1
InChIInChI=1S/C21H25N3O2/c1-14-10-15(2)12-17(11-14)23-20(25)18-13-19(18)21(26)24(3)9-6-16-4-7-22-8-5-16/h4-5,7-8,10-12,18-19H,6,9,13H2,1-3H3,(H,23,25)
InChIKeyYQQGTWNLKOSULY-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-(3,5-dimethylphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide with MolForge

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Related Compounds

2-N-(3-methoxyphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109138121
2-N-(5-chloro-2-methylphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109138113
2-N-tert-butyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109138072
2-N-cyclohexyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109132403
2-(azepane-1-carbonyl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide
CID 109138082
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109137890
2-N-[(2-methoxyphenyl)methyl]-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109136414
2-N-(4-bromo-3-methylphenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109140206
1-N-(2,5-dimethylphenyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)cyclohexane-1,4-dicarboxamide
CID 109149196
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(3,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141800
2-N-(3-bromophenyl)-1-N-butyl-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109140203
1-N-(3,5-dimethylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135500

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dimethylphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(3,5-dimethylphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide (CID 109138093) is 2-N-(3,5-dimethylphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(3,5-dimethylphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(3,5-dimethylphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide is Cc1cc(C)cc(NC(=O)C2CC2C(=O)N(C)CCc2ccncc2)c1.
What is the InChIKey of 2-N-(3,5-dimethylphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is YQQGTWNLKOSULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-14-10-15(2)12-17(11-14)23-20(25)18-13-19(18)21(26)24(3)9-6-16-4-7-22-8-5-16/h4-5,7-8,10-12,18-19H,6,9,13H2,1-3H3,(H,23,25).
What are the key properties of 2-N-(3,5-dimethylphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide?
2-N-(3,5-dimethylphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dimethylphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109138093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).