5-(3,5-dimethylphenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide

C29H28N4O — CID 25060654

IUPAC5-(3,5-dimethylphenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
SMILESCc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)NCc3ccc4c(c3)CCN4C)c2)c1
InChIInChI=1S/C29H28N4O/c1-19-11-20(2)13-24(12-19)25-15-26(28(31-18-25)23-5-4-9-30-17-23)29(34)32-16-21-6-7-27-22(14-21)8-10-33(27)3/h4-7,9,11-15,17-18H,8,10,16H2,1-3H3,(H,32,34)
InChIKeyXEEPPHMHVMVKLE-UHFFFAOYSA-N
MW448.57 g/mol
LogP5.35
Rot. Bonds5

About 5-(3,5-dimethylphenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide

5-(3,5-dimethylphenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide (PubChem CID 25060654) has the molecular formula C29H28N4O and a molecular weight of 448.57 g/mol. Its IUPAC name is 5-(3,5-dimethylphenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethylphenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
PubChem CID25060654
Molecular FormulaC29H28N4O
Molecular Weight448.57 g/mol
Exact Mass448.23
IUPAC Name5-(3,5-dimethylphenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
SMILESCc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)NCc3ccc4c(c3)CCN4C)c2)c1
InChIInChI=1S/C29H28N4O/c1-19-11-20(2)13-24(12-19)25-15-26(28(31-18-25)23-5-4-9-30-17-23)29(34)32-16-21-6-7-27-22(14-21)8-10-33(27)3/h4-7,9,11-15,17-18H,8,10,16H2,1-3H3,(H,32,34)
InChIKeyXEEPPHMHVMVKLE-UHFFFAOYSA-N
XLogP5.35
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3,5-dimethylphenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)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-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide?
The IUPAC name of 5-(3,5-dimethylphenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide (CID 25060654) is 5-(3,5-dimethylphenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-(3,5-dimethylphenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide?
The canonical SMILES for 5-(3,5-dimethylphenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide is Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)NCc3ccc4c(c3)CCN4C)c2)c1.
What is the InChIKey of 5-(3,5-dimethylphenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide?
The InChIKey is XEEPPHMHVMVKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O/c1-19-11-20(2)13-24(12-19)25-15-26(28(31-18-25)23-5-4-9-30-17-23)29(34)32-16-21-6-7-27-22(14-21)8-10-33(27)3/h4-7,9,11-15,17-18H,8,10,16H2,1-3H3,(H,32,34).
What are the key properties of 5-(3,5-dimethylphenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide?
5-(3,5-dimethylphenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide has a molecular weight of 448.57 g/mol, XLogP of 5.35, 5 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-[(1-methyl-2,3-dihydroindol-5-yl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 25060654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).