5-methoxy-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-1H-indole-2-carboxamide

C26H22N6O2 — CID 59198189

About 5-methoxy-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-1H-indole-2-carboxamide

5-methoxy-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-1H-indole-2-carboxamide (PubChem CID 59198189) has the molecular formula C26H22N6O2 and a molecular weight of 450.50 g/mol. Its IUPAC name is 5-methoxy-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 5-methoxy-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-1H-indole-2-carboxamide
• PubChem CID: 59198189
• Molecular Formula: C26H22N6O2
• Molecular Weight: 450.50 g/mol
• Exact Mass: 450.18
• IUPAC Name: 5-methoxy-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-1H-indole-2-carboxamide
• SMILES: COc1ccc2[nH]c(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2c1
• InChI: InChI=1S/C26H22N6O2/c1-16-5-6-19(29-25(33)24-13-18-12-20(34-2)7-8-21(18)30-24)14-23(16)32-26-28-11-9-22(31-26)17-4-3-10-27-15-17/h3-15,30H,1-2H3,(H,29,33)(H,28,31,32)
• InChIKey: NBXAFJLIBZOMFP-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 104.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.50
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-methoxy-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-1H-indole-2-carboxamide (CID 59198189) is 5-methoxy-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-1H-indole-2-carboxamide.

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

The canonical SMILES for 5-methoxy-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc2c1.

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

The InChIKey is NBXAFJLIBZOMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O2/c1-16-5-6-19(29-25(33)24-13-18-12-20(34-2)7-8-21(18)30-24)14-23(16)32-26-28-11-9-22(31-26)17-4-3-10-27-15-17/h3-15,30H,1-2H3,(H,29,33)(H,28,31,32).

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

5-methoxy-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-1H-indole-2-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 5.33, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methoxy-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 59198189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).