2-(3,4-dimethoxybenzoyl)-N-(2-methyl-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide

C25H24N2O4 — CID 57388730

IUPAC2-(3,4-dimethoxybenzoyl)-N-(2-methyl-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc(C(=O)C2(c3ccccc3)CC2C(=O)Nc2ccnc(C)c2)cc1OC
InChIInChI=1S/C25H24N2O4/c1-16-13-19(11-12-26-16)27-24(29)20-15-25(20,18-7-5-4-6-8-18)23(28)17-9-10-21(30-2)22(14-17)31-3/h4-14,20H,15H2,1-3H3,(H,26,27,29)
InChIKeyQKEHSQFDQXYIMN-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.19
Rot. Bonds7

About 2-(3,4-dimethoxybenzoyl)-N-(2-methyl-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide

2-(3,4-dimethoxybenzoyl)-N-(2-methyl-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 57388730) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-(3,4-dimethoxybenzoyl)-N-(2-methyl-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxybenzoyl)-N-(2-methyl-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID57388730
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name2-(3,4-dimethoxybenzoyl)-N-(2-methyl-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc(C(=O)C2(c3ccccc3)CC2C(=O)Nc2ccnc(C)c2)cc1OC
InChIInChI=1S/C25H24N2O4/c1-16-13-19(11-12-26-16)27-24(29)20-15-25(20,18-7-5-4-6-8-18)23(28)17-9-10-21(30-2)22(14-17)31-3/h4-14,20H,15H2,1-3H3,(H,26,27,29)
InChIKeyQKEHSQFDQXYIMN-UHFFFAOYSA-N
XLogP4.19
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dimethoxybenzoyl)-N-(2-methyl-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethoxybenzoyl)-N-(2-fluoro-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide
CID 57388159
2-(3,4-dimethoxybenzoyl)-2-phenyl-N-(1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 57388734
N-(4-chloro-2-pyridinyl)-2-(3,4-dimethoxybenzoyl)-2-phenylcyclopropane-1-carboxamide
CID 57388194
1-(2-methoxyphenyl)-N-(2-methyl-4-pyridinyl)cyclopropane-1-carboxamide
CID 110439650
2,5-dimethoxy-N-(2-methyl-4-pyridinyl)benzamide
CID 110761099
2-(2-methoxyphenyl)-N-(2-methyl-4-pyridinyl)acetamide
CID 110756856
methyl N-(2-methyl-4-pyridinyl)carbamate
CID 110756833
N-(2-methyl-4-pyridinyl)-3-oxo-3-phenylpropanamide
CID 110463363
N-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 79240195
N-(3,4-dimethoxyphenyl)-1-(2-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53078117
1-[(2-methyl-4-pyridinyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 79240228
cis-(1R,2S)-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-2-phenyl-N-[2-(trifluoromethyl)-4-pyridinyl]cyclopropane-1-carboxamide
CID 67473920

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxybenzoyl)-N-(2-methyl-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of 2-(3,4-dimethoxybenzoyl)-N-(2-methyl-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide (CID 57388730) is 2-(3,4-dimethoxybenzoyl)-N-(2-methyl-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxybenzoyl)-N-(2-methyl-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxybenzoyl)-N-(2-methyl-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide is COc1ccc(C(=O)C2(c3ccccc3)CC2C(=O)Nc2ccnc(C)c2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxybenzoyl)-N-(2-methyl-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is QKEHSQFDQXYIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c1-16-13-19(11-12-26-16)27-24(29)20-15-25(20,18-7-5-4-6-8-18)23(28)17-9-10-21(30-2)22(14-17)31-3/h4-14,20H,15H2,1-3H3,(H,26,27,29).
What are the key properties of 2-(3,4-dimethoxybenzoyl)-N-(2-methyl-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide?
2-(3,4-dimethoxybenzoyl)-N-(2-methyl-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxybenzoyl)-N-(2-methyl-4-pyridinyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 57388730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).