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

C31H40N6O2 — CID 123466223

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

N-[(4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylindole-4-carboxamide (PubChem CID 123466223) has the molecular formula C31H40N6O2 and a molecular weight of 528.70 g/mol. Its IUPAC name is N-[(4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylindole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylindole-4-carboxamide
• PubChem CID: 123466223
• Molecular Formula: C31H40N6O2
• Molecular Weight: 528.70 g/mol
• Exact Mass: 528.32
• IUPAC Name: N-[(4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylindole-4-carboxamide
• SMILES: CCC1C=C(C)NC(=O)C1CNC(=O)c1cc(-c2ccc(N3CCNCC3)nc2)cc2c1c(C)cn2C(C)C
• InChI: InChI=1S/C31H40N6O2/c1-6-22-13-21(5)35-31(39)26(22)17-34-30(38)25-14-24(15-27-29(25)20(4)18-37(27)19(2)3)23-7-8-28(33-16-23)36-11-9-32-10-12-36/h7-8,13-16,18-19,22,26,32H,6,9-12,17H2,1-5H3,(H,34,38)(H,35,39)
• InChIKey: WNEPJJLRCOEHPH-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 91.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.70
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylindole-4-carboxamide (CID 123466223) is N-[(4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylindole-4-carboxamide.

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

The canonical SMILES for N-[(4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylindole-4-carboxamide is CCC1C=C(C)NC(=O)C1CNC(=O)c1cc(-c2ccc(N3CCNCC3)nc2)cc2c1c(C)cn2C(C)C.

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

The InChIKey is WNEPJJLRCOEHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40N6O2/c1-6-22-13-21(5)35-31(39)26(22)17-34-30(38)25-14-24(15-27-29(25)20(4)18-37(27)19(2)3)23-7-8-28(33-16-23)36-11-9-32-10-12-36/h7-8,13-16,18-19,22,26,32H,6,9-12,17H2,1-5H3,(H,34,38)(H,35,39).

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

N-[(4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylindole-4-carboxamide has a molecular weight of 528.70 g/mol, XLogP of 4.41, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-ethyl-6-methyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)-1-propan-2-ylindole-4-carboxamide is sourced from PubChem (CID 123466223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).