N-(4-methylcyclohexyl)-3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide

C24H30N4O3 — CID 95067890

About N-(4-methylcyclohexyl)-3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide

N-(4-methylcyclohexyl)-3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide (PubChem CID 95067890) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

• Compound Name: N-(4-methylcyclohexyl)-3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide
• PubChem CID: 95067890
• Molecular Formula: C24H30N4O3
• Molecular Weight: 422.53 g/mol
• Exact Mass: 422.23
• IUPAC Name: N-(4-methylcyclohexyl)-3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide
• SMILES: CC1CCC(NC(=O)CCn2nc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2=O)CC1
• InChI: InChI=1S/C24H30N4O3/c1-16-7-9-19(10-8-16)25-22(29)13-14-27-23(30)12-11-20(26-27)24(31)28-17(2)15-18-5-3-4-6-21(18)28/h3-6,11-12,16-17,19H,7-10,13-15H2,1-2H3,(H,25,29)/t16?,17-,19?/m0/s1
• InChIKey: WZYJYZIPLUHHPT-HFCFLWKCSA-N
• XLogP: 2.92
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.53
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide?

The IUPAC name of N-(4-methylcyclohexyl)-3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide (CID 95067890) is N-(4-methylcyclohexyl)-3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide.

What is the SMILES notation for N-(4-methylcyclohexyl)-3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide?

The canonical SMILES for N-(4-methylcyclohexyl)-3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide is CC1CCC(NC(=O)CCn2nc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2=O)CC1.

What is the InChIKey of N-(4-methylcyclohexyl)-3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide?

The InChIKey is WZYJYZIPLUHHPT-HFCFLWKCSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-16-7-9-19(10-8-16)25-22(29)13-14-27-23(30)12-11-20(26-27)24(31)28-17(2)15-18-5-3-4-6-21(18)28/h3-6,11-12,16-17,19H,7-10,13-15H2,1-2H3,(H,25,29)/t16?,17-,19?/m0/s1.

What are the key properties of N-(4-methylcyclohexyl)-3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide?

N-(4-methylcyclohexyl)-3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide has a molecular weight of 422.53 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methylcyclohexyl)-3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 95067890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).