3-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N,N-dimethylbenzamide

C26H27N3O3 — CID 59165998

IUPAC3-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N,N-dimethylbenzamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc(C)c(-c4cccc(C(=O)N(C)C)c4)n3)CC2)cc1
InChIInChI=1S/C26H27N3O3/c1-17-8-13-22(27-23(17)18-6-5-7-19(16-18)24(30)29(2)3)28-25(31)26(14-15-26)20-9-11-21(32-4)12-10-20/h5-13,16H,14-15H2,1-4H3,(H,27,28,31)
InChIKeyAAXGBKRRERKTPA-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.44
Rot. Bonds6

About 3-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N,N-dimethylbenzamide

3-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N,N-dimethylbenzamide (PubChem CID 59165998) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 3-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N,N-dimethylbenzamide
PubChem CID59165998
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name3-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N,N-dimethylbenzamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc(C)c(-c4cccc(C(=O)N(C)C)c4)n3)CC2)cc1
InChIInChI=1S/C26H27N3O3/c1-17-8-13-22(27-23(17)18-6-5-7-19(16-18)24(30)29(2)3)28-25(31)26(14-15-26)20-9-11-21(32-4)12-10-20/h5-13,16H,14-15H2,1-4H3,(H,27,28,31)
InChIKeyAAXGBKRRERKTPA-UHFFFAOYSA-N
XLogP4.44
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N,N-dimethylbenzamide 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

N-[6-[3-(hydroxymethyl)phenyl]-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 59165896
N-[6-(2-chlorophenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 59166215
1-(4-methoxyphenyl)-N-[5-methyl-6-[4-(methylsulfamoyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide
CID 59166158
N-[6-(2-ethylphenyl)-5-methyl-2-pyridinyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 58347353
3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]benzamide
CID 166555943
2-[[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoyl]amino]acetic acid
CID 172580119
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[5-methyl-6-(3-methylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;methane
CID 161410160
tert-butyl N-[5-[[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoyl]amino]pentyl]carbamate
CID 162624851
4-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-2-methoxybenzoic acid
CID 59166022
5-[[3-[6-[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]benzoyl]amino]-2,2,4,4-tetramethylpentanoic acid
CID 176557974
3-[3-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-4-methylphenyl]-N,N-dimethylbenzamide
CID 59206208
N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198467

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N,N-dimethylbenzamide (CID 59165998) is 3-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N,N-dimethylbenzamide is COc1ccc(C2(C(=O)Nc3ccc(C)c(-c4cccc(C(=O)N(C)C)c4)n3)CC2)cc1.
What is the InChIKey of 3-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N,N-dimethylbenzamide?
The InChIKey is AAXGBKRRERKTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-17-8-13-22(27-23(17)18-6-5-7-19(16-18)24(30)29(2)3)28-25(31)26(14-15-26)20-9-11-21(32-4)12-10-20/h5-13,16H,14-15H2,1-4H3,(H,27,28,31).
What are the key properties of 3-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N,N-dimethylbenzamide?
3-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N,N-dimethylbenzamide has a molecular weight of 429.52 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methyl-2-pyridinyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 59165998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).