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

C20H23N3O3 — CID 109138121

IUPAC2-N-(3-methoxyphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1cccc(NC(=O)C2CC2C(=O)N(C)CCc2ccncc2)c1
InChIInChI=1S/C20H23N3O3/c1-23(11-8-14-6-9-21-10-7-14)20(25)18-13-17(18)19(24)22-15-4-3-5-16(12-15)26-2/h3-7,9-10,12,17-18H,8,11,13H2,1-2H3,(H,22,24)
InChIKeyWVIOOUNWNRZFAC-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.37
Rot. Bonds7

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

2-N-(3-methoxyphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109138121) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-N-(3-methoxyphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(3-methoxyphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109138121
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-N-(3-methoxyphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1cccc(NC(=O)C2CC2C(=O)N(C)CCc2ccncc2)c1
InChIInChI=1S/C20H23N3O3/c1-23(11-8-14-6-9-21-10-7-14)20(25)18-13-17(18)19(24)22-15-4-3-5-16(12-15)26-2/h3-7,9-10,12,17-18H,8,11,13H2,1-2H3,(H,22,24)
InChIKeyWVIOOUNWNRZFAC-UHFFFAOYSA-N
XLogP2.37
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[2-(3-methoxyphenyl)ethyl]-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109137890
2-N-(3,5-dimethylphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109138093
N-(3-methoxyphenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948960
2-N-[(2-methoxyphenyl)methyl]-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109136414
2-N-tert-butyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109138072
1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138025
1-N-(3-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137105
2-N-(5-chloro-2-methylphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109138113
2-N-(4-ethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142087
6-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridazine-3-carboxamide
CID 109122715
5-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109237031
2-N-cyclohexyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109132403

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxyphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(3-methoxyphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide (CID 109138121) is 2-N-(3-methoxyphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(3-methoxyphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(3-methoxyphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide is COc1cccc(NC(=O)C2CC2C(=O)N(C)CCc2ccncc2)c1.
What is the InChIKey of 2-N-(3-methoxyphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is WVIOOUNWNRZFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-23(11-8-14-6-9-21-10-7-14)20(25)18-13-17(18)19(24)22-15-4-3-5-16(12-15)26-2/h3-7,9-10,12,17-18H,8,11,13H2,1-2H3,(H,22,24).
What are the key properties of 2-N-(3-methoxyphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide?
2-N-(3-methoxyphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxyphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109138121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).