3-[3-(2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)propanamide

C23H22N4O3 — CID 53066069

IUPAC3-[3-(2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCn2nc(C(=O)N3CCc4ccccc43)ccc2=O)c1
InChIInChI=1S/C23H22N4O3/c1-16-5-4-7-18(15-16)24-21(28)12-14-27-22(29)10-9-19(25-27)23(30)26-13-11-17-6-2-3-8-20(17)26/h2-10,15H,11-14H2,1H3,(H,24,28)
InChIKeyYYXWNTLBARJRIQ-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.78
Rot. Bonds5

About 3-[3-(2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)propanamide

3-[3-(2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)propanamide (PubChem CID 53066069) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 3-[3-(2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[3-(2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)propanamide
PubChem CID53066069
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name3-[3-(2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCn2nc(C(=O)N3CCc4ccccc43)ccc2=O)c1
InChIInChI=1S/C23H22N4O3/c1-16-5-4-7-18(15-16)24-21(28)12-14-27-22(29)10-9-19(25-27)23(30)26-13-11-17-6-2-3-8-20(17)26/h2-10,15H,11-14H2,1H3,(H,24,28)
InChIKeyYYXWNTLBARJRIQ-UHFFFAOYSA-N
XLogP2.78
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[3-(2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)propanamide (CID 53066069) is 3-[3-(2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[3-(2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[3-(2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)CCn2nc(C(=O)N3CCc4ccccc43)ccc2=O)c1.
What is the InChIKey of 3-[3-(2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)propanamide?
The InChIKey is YYXWNTLBARJRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-16-5-4-7-18(15-16)24-21(28)12-14-27-22(29)10-9-19(25-27)23(30)26-13-11-17-6-2-3-8-20(17)26/h2-10,15H,11-14H2,1H3,(H,24,28).
What are the key properties of 3-[3-(2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)propanamide?
3-[3-(2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)propanamide has a molecular weight of 402.45 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dihydroindole-1-carbonyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 53066069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).