5-(3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide

C27H25N3O2 — CID 25060384

IUPAC5-(3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cc(C)cc(C)c3)cnc2-c2cccnc2)cc1
InChIInChI=1S/C27H25N3O2/c1-18-11-19(2)13-22(12-18)23-14-25(26(29-17-23)21-5-4-10-28-16-21)27(31)30-15-20-6-8-24(32-3)9-7-20/h4-14,16-17H,15H2,1-3H3,(H,30,31)
InChIKeyMGOSVDSICIKUHG-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.37
Rot. Bonds6

About 5-(3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide

5-(3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide (PubChem CID 25060384) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 5-(3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
PubChem CID25060384
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name5-(3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cc(C)cc(C)c3)cnc2-c2cccnc2)cc1
InChIInChI=1S/C27H25N3O2/c1-18-11-19(2)13-22(12-18)23-14-25(26(29-17-23)21-5-4-10-28-16-21)27(31)30-15-20-6-8-24(32-3)9-7-20/h4-14,16-17H,15H2,1-3H3,(H,30,31)
InChIKeyMGOSVDSICIKUHG-UHFFFAOYSA-N
XLogP5.37
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide?
The IUPAC name of 5-(3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide (CID 25060384) is 5-(3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-(3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide?
The canonical SMILES for 5-(3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide is COc1ccc(CNC(=O)c2cc(-c3cc(C)cc(C)c3)cnc2-c2cccnc2)cc1.
What is the InChIKey of 5-(3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide?
The InChIKey is MGOSVDSICIKUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c1-18-11-19(2)13-22(12-18)23-14-25(26(29-17-23)21-5-4-10-28-16-21)27(31)30-15-20-6-8-24(32-3)9-7-20/h4-14,16-17H,15H2,1-3H3,(H,30,31).
What are the key properties of 5-(3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide?
5-(3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide has a molecular weight of 423.52 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylphenyl)-N-[(4-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 25060384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).