N-(3,4-dimethylphenyl)-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide

C26H22N6O — CID 171354399

About N-(3,4-dimethylphenyl)-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide

N-(3,4-dimethylphenyl)-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide (PubChem CID 171354399) has the molecular formula C26H22N6O and a molecular weight of 434.50 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-(3,4-dimethylphenyl)-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide
• PubChem CID: 171354399
• Molecular Formula: C26H22N6O
• Molecular Weight: 434.50 g/mol
• Exact Mass: 434.19
• IUPAC Name: N-(3,4-dimethylphenyl)-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide
• SMILES: Cc1ccc(NC(=O)c2cc3cc(Nc4nccc(-c5cccnc5)n4)ccc3[nH]2)cc1C
• InChI: InChI=1S/C26H22N6O/c1-16-5-6-20(12-17(16)2)29-25(33)24-14-19-13-21(7-8-22(19)31-24)30-26-28-11-9-23(32-26)18-4-3-10-27-15-18/h3-15,31H,1-2H3,(H,29,33)(H,28,30,32)
• InChIKey: UXIGNKFUZHOKAF-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 95.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.50
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide?

The IUPAC name of N-(3,4-dimethylphenyl)-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide (CID 171354399) is N-(3,4-dimethylphenyl)-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide.

What is the SMILES notation for N-(3,4-dimethylphenyl)-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide?

The canonical SMILES for N-(3,4-dimethylphenyl)-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide is Cc1ccc(NC(=O)c2cc3cc(Nc4nccc(-c5cccnc5)n4)ccc3[nH]2)cc1C.

What is the InChIKey of N-(3,4-dimethylphenyl)-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide?

The InChIKey is UXIGNKFUZHOKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O/c1-16-5-6-20(12-17(16)2)29-25(33)24-14-19-13-21(7-8-22(19)31-24)30-26-28-11-9-23(32-26)18-4-3-10-27-15-18/h3-15,31H,1-2H3,(H,29,33)(H,28,30,32).

What are the key properties of N-(3,4-dimethylphenyl)-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide?

N-(3,4-dimethylphenyl)-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 5.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dimethylphenyl)-5-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide is sourced from PubChem (CID 171354399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).