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

C24H23ClN4O3 — CID 95067825

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

N-[(4-chlorophenyl)methyl]-3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide (PubChem CID 95067825) has the molecular formula C24H23ClN4O3 and a molecular weight of 450.93 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

• Compound Name: N-[(4-chlorophenyl)methyl]-3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide
• PubChem CID: 95067825
• Molecular Formula: C24H23ClN4O3
• Molecular Weight: 450.93 g/mol
• Exact Mass: 450.15
• IUPAC Name: N-[(4-chlorophenyl)methyl]-3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide
• SMILES: C[C@H]1Cc2ccccc2N1C(=O)c1ccc(=O)n(CCC(=O)NCc2ccc(Cl)cc2)n1
• InChI: InChI=1S/C24H23ClN4O3/c1-16-14-18-4-2-3-5-21(18)29(16)24(32)20-10-11-23(31)28(27-20)13-12-22(30)26-15-17-6-8-19(25)9-7-17/h2-11,16H,12-15H2,1H3,(H,26,30)/t16-/m0/s1
• InChIKey: XSKWYVIQJWZMTG-INIZCTEOSA-N
• XLogP: 3.19
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.93
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(4-chlorophenyl)methyl]-3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide (CID 95067825) is N-[(4-chlorophenyl)methyl]-3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide.

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

The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide is C[C@H]1Cc2ccccc2N1C(=O)c1ccc(=O)n(CCC(=O)NCc2ccc(Cl)cc2)n1.

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

The InChIKey is XSKWYVIQJWZMTG-INIZCTEOSA-N. The full InChI is InChI=1S/C24H23ClN4O3/c1-16-14-18-4-2-3-5-21(18)29(16)24(32)20-10-11-23(31)28(27-20)13-12-22(30)26-15-17-6-8-19(25)9-7-17/h2-11,16H,12-15H2,1H3,(H,26,30)/t16-/m0/s1.

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

N-[(4-chlorophenyl)methyl]-3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide has a molecular weight of 450.93 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-chlorophenyl)methyl]-3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 95067825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).