N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1-propan-2-ylindole-4-carboxamide

C32H40N6O2 — CID 67468820

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1-propan-2-ylindole-4-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1-propan-2-ylindole-4-carboxamide (PubChem CID 67468820) has the molecular formula C32H40N6O2 and a molecular weight of 540.71 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1-propan-2-ylindole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1-propan-2-ylindole-4-carboxamide
• PubChem CID: 67468820
• Molecular Formula: C32H40N6O2
• Molecular Weight: 540.71 g/mol
• Exact Mass: 540.32
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1-propan-2-ylindole-4-carboxamide
• SMILES: Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CCN(C)CC4)nc3)cc3c2c(C)cn3C(C)C)c(=O)[nH]1
• InChI: InChI=1S/C32H40N6O2/c1-20(2)38-18-22(4)30-27(31(39)34-17-28-21(3)13-23(5)35-32(28)40)14-25(15-29(30)38)24-7-8-26(33-16-24)19-37-11-9-36(6)10-12-37/h7-8,13-16,18,20H,9-12,17,19H2,1-6H3,(H,34,39)(H,35,40)
• InChIKey: GTHIGERHHHYSCS-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 86.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.71
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1-propan-2-ylindole-4-carboxamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1-propan-2-ylindole-4-carboxamide (CID 67468820) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1-propan-2-ylindole-4-carboxamide.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1-propan-2-ylindole-4-carboxamide?

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1-propan-2-ylindole-4-carboxamide is Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CCN(C)CC4)nc3)cc3c2c(C)cn3C(C)C)c(=O)[nH]1.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1-propan-2-ylindole-4-carboxamide?

The InChIKey is GTHIGERHHHYSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N6O2/c1-20(2)38-18-22(4)30-27(31(39)34-17-28-21(3)13-23(5)35-32(28)40)14-25(15-29(30)38)24-7-8-26(33-16-24)19-37-11-9-36(6)10-12-37/h7-8,13-16,18,20H,9-12,17,19H2,1-6H3,(H,34,39)(H,35,40).

What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1-propan-2-ylindole-4-carboxamide?

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1-propan-2-ylindole-4-carboxamide has a molecular weight of 540.71 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[6-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-1-propan-2-ylindole-4-carboxamide is sourced from PubChem (CID 67468820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).