N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide

C26H22N6O2 — CID 58588276

About N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide

N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide (PubChem CID 58588276) has the molecular formula C26H22N6O2 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide.

Molecular Properties

• Compound Name: N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide
• PubChem CID: 58588276
• Molecular Formula: C26H22N6O2
• Molecular Weight: 450.50 g/mol
• Exact Mass: 450.18
• IUPAC Name: N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide
• SMILES: CNc1nccc(-c2cccnc2Oc2ccc(NC(=O)c3cccc4cc[nH]c34)cc2C)n1
• InChI: InChI=1S/C26H22N6O2/c1-16-15-18(31-24(33)20-6-3-5-17-10-13-28-23(17)20)8-9-22(16)34-25-19(7-4-12-29-25)21-11-14-30-26(27-2)32-21/h3-15,28H,1-2H3,(H,31,33)(H,27,30,32)
• InChIKey: VZBNUSHJUZXUSD-UHFFFAOYSA-N
• XLogP: 5.41
• 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	5.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide?

The IUPAC name of N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide (CID 58588276) is N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide.

What is the SMILES notation for N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide?

The canonical SMILES for N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide is CNc1nccc(-c2cccnc2Oc2ccc(NC(=O)c3cccc4cc[nH]c34)cc2C)n1.

What is the InChIKey of N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide?

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

What are the key properties of N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide?

N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide has a molecular weight of 450.50 g/mol, XLogP of 5.41, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-1H-indole-7-carboxamide is sourced from PubChem (CID 58588276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).