N-[1-(6-amino-4-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-1-butan-2-yl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide

C32H41N7O2 — CID 122436772

About N-[1-(6-amino-4-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-1-butan-2-yl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide

N-[1-(6-amino-4-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-1-butan-2-yl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide (PubChem CID 122436772) has the molecular formula C32H41N7O2 and a molecular weight of 555.73 g/mol. Its IUPAC name is N-[1-(6-amino-4-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-1-butan-2-yl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-(6-amino-4-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-1-butan-2-yl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide
• PubChem CID: 122436772
• Molecular Formula: C32H41N7O2
• Molecular Weight: 555.73 g/mol
• Exact Mass: 555.33
• IUPAC Name: N-[1-(6-amino-4-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-1-butan-2-yl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide
• SMILES: CCC(C)n1cc(C)c2c(C(=O)NC(C)c3c(C)cc(N)[nH]c3=O)cc(-c3ccc(N4CCN(C)CC4)nc3)cc21
• InChI: InChI=1S/C32H41N7O2/c1-7-21(4)39-18-20(3)30-25(31(40)35-22(5)29-19(2)14-27(33)36-32(29)41)15-24(16-26(30)39)23-8-9-28(34-17-23)38-12-10-37(6)11-13-38/h8-9,14-18,21-22H,7,10-13H2,1-6H3,(H,35,40)(H3,33,36,41)
• InChIKey: OGVQDEOEMMCSSB-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 112.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.73
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-amino-4-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-1-butan-2-yl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide?

The IUPAC name of N-[1-(6-amino-4-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-1-butan-2-yl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide (CID 122436772) is N-[1-(6-amino-4-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-1-butan-2-yl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide.

What is the SMILES notation for N-[1-(6-amino-4-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-1-butan-2-yl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide?

The canonical SMILES for N-[1-(6-amino-4-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-1-butan-2-yl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide is CCC(C)n1cc(C)c2c(C(=O)NC(C)c3c(C)cc(N)[nH]c3=O)cc(-c3ccc(N4CCN(C)CC4)nc3)cc21.

What is the InChIKey of N-[1-(6-amino-4-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-1-butan-2-yl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide?

The InChIKey is OGVQDEOEMMCSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N7O2/c1-7-21(4)39-18-20(3)30-25(31(40)35-22(5)29-19(2)14-27(33)36-32(29)41)15-24(16-26(30)39)23-8-9-28(34-17-23)38-12-10-37(6)11-13-38/h8-9,14-18,21-22H,7,10-13H2,1-6H3,(H,35,40)(H3,33,36,41).

What are the key properties of N-[1-(6-amino-4-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-1-butan-2-yl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide?

N-[1-(6-amino-4-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-1-butan-2-yl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide has a molecular weight of 555.73 g/mol, XLogP of 4.80, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(6-amino-4-methyl-2-oxo-1H-pyridin-3-yl)ethyl]-1-butan-2-yl-3-methyl-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]indole-4-carboxamide is sourced from PubChem (CID 122436772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).