N-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-4-carboxamide

C30H34N6O2 — CID 123584813

About N-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-4-carboxamide

N-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-4-carboxamide (PubChem CID 123584813) has the molecular formula C30H34N6O2 and a molecular weight of 510.64 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-4-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-4-carboxamide
• PubChem CID: 123584813
• Molecular Formula: C30H34N6O2
• Molecular Weight: 510.64 g/mol
• Exact Mass: 510.27
• IUPAC Name: N-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-4-carboxamide
• SMILES: Cc1cc(C)c(CN(C(=O)c2cc(-c3ccc(N4CCNCC4)nc3)cc3[nH]cc(C)c23)C2CC2)c(=O)[nH]1
• InChI: InChI=1S/C30H34N6O2/c1-18-12-20(3)34-29(37)25(18)17-36(23-5-6-23)30(38)24-13-22(14-26-28(24)19(2)15-32-26)21-4-7-27(33-16-21)35-10-8-31-9-11-35/h4,7,12-16,23,31-32H,5-6,8-11,17H2,1-3H3,(H,34,37)
• InChIKey: JDWJAOZLHBGPRZ-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 97.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.64
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-4-carboxamide (CID 123584813) is N-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-4-carboxamide.

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

The canonical SMILES for N-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-4-carboxamide is Cc1cc(C)c(CN(C(=O)c2cc(-c3ccc(N4CCNCC4)nc3)cc3[nH]cc(C)c23)C2CC2)c(=O)[nH]1.

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

The InChIKey is JDWJAOZLHBGPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O2/c1-18-12-20(3)34-29(37)25(18)17-36(23-5-6-23)30(38)24-13-22(14-26-28(24)19(2)15-32-26)21-4-7-27(33-16-21)35-10-8-31-9-11-35/h4,7,12-16,23,31-32H,5-6,8-11,17H2,1-3H3,(H,34,37).

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

N-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-4-carboxamide has a molecular weight of 510.64 g/mol, XLogP of 4.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-1H-indole-4-carboxamide is sourced from PubChem (CID 123584813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).