2-N-cyclohexyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide

C19H27N3O2 — CID 109132403

IUPAC2-N-cyclohexyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
SMILESCN(CCc1ccncc1)C(=O)C1CC1C(=O)NC1CCCCC1
InChIInChI=1S/C19H27N3O2/c1-22(12-9-14-7-10-20-11-8-14)19(24)17-13-16(17)18(23)21-15-5-3-2-4-6-15/h7-8,10-11,15-17H,2-6,9,12-13H2,1H3,(H,21,23)
InChIKeyXWHPGLDAHTWUPU-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.17
Rot. Bonds6

About 2-N-cyclohexyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide

2-N-cyclohexyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109132403) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-N-cyclohexyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclohexyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109132403
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name2-N-cyclohexyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
SMILESCN(CCc1ccncc1)C(=O)C1CC1C(=O)NC1CCCCC1
InChIInChI=1S/C19H27N3O2/c1-22(12-9-14-7-10-20-11-8-14)19(24)17-13-16(17)18(23)21-15-5-3-2-4-6-15/h7-8,10-11,15-17H,2-6,9,12-13H2,1H3,(H,21,23)
InChIKeyXWHPGLDAHTWUPU-UHFFFAOYSA-N
XLogP2.17
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-N-tert-butyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109138072
N-cycloheptyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948907
2-(azepane-1-carbonyl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide
CID 109138082
2-N-(3,5-dimethylphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109138093
N-cyclohexyl-2-[methyl(2-pyridin-4-ylethyl)amino]acetamide
CID 108993655
N-cyclopentyl-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109013454
2-N-cycloheptyl-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109098676
3-(cyclohexylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 109014143
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-[(2-methoxyphenyl)methyl]-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109136414
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109137890

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-cyclohexyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide (CID 109132403) is 2-N-cyclohexyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-cyclohexyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-cyclohexyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide is CN(CCc1ccncc1)C(=O)C1CC1C(=O)NC1CCCCC1.
What is the InChIKey of 2-N-cyclohexyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is XWHPGLDAHTWUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-22(12-9-14-7-10-20-11-8-14)19(24)17-13-16(17)18(23)21-15-5-3-2-4-6-15/h7-8,10-11,15-17H,2-6,9,12-13H2,1H3,(H,21,23).
What are the key properties of 2-N-cyclohexyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide?
2-N-cyclohexyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109132403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).