1-(2,3-dihydro-1H-inden-4-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methyl-2-oxopyridine-3-carboxamide

C23H27N5O2 — CID 172657422

About 1-(2,3-dihydro-1H-inden-4-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methyl-2-oxopyridine-3-carboxamide

1-(2,3-dihydro-1H-inden-4-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methyl-2-oxopyridine-3-carboxamide (PubChem CID 172657422) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-4-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1H-inden-4-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methyl-2-oxopyridine-3-carboxamide
• PubChem CID: 172657422
• Molecular Formula: C23H27N5O2
• Molecular Weight: 405.50 g/mol
• Exact Mass: 405.22
• IUPAC Name: 1-(2,3-dihydro-1H-inden-4-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methyl-2-oxopyridine-3-carboxamide
• SMILES: Cc1nc(C)n(CCCNC(=O)c2c(C)ccn(-c3cccc4c3CCC4)c2=O)n1
• InChI: InChI=1S/C23H27N5O2/c1-15-11-14-27(20-10-5-8-18-7-4-9-19(18)20)23(30)21(15)22(29)24-12-6-13-28-17(3)25-16(2)26-28/h5,8,10-11,14H,4,6-7,9,12-13H2,1-3H3,(H,24,29)
• InChIKey: HRNDPLVGDOQVRF-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 81.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.50
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-4-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methyl-2-oxopyridine-3-carboxamide?

The IUPAC name of 1-(2,3-dihydro-1H-inden-4-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methyl-2-oxopyridine-3-carboxamide (CID 172657422) is 1-(2,3-dihydro-1H-inden-4-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methyl-2-oxopyridine-3-carboxamide.

What is the SMILES notation for 1-(2,3-dihydro-1H-inden-4-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methyl-2-oxopyridine-3-carboxamide?

The canonical SMILES for 1-(2,3-dihydro-1H-inden-4-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methyl-2-oxopyridine-3-carboxamide is Cc1nc(C)n(CCCNC(=O)c2c(C)ccn(-c3cccc4c3CCC4)c2=O)n1.

What is the InChIKey of 1-(2,3-dihydro-1H-inden-4-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methyl-2-oxopyridine-3-carboxamide?

The InChIKey is HRNDPLVGDOQVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-15-11-14-27(20-10-5-8-18-7-4-9-19(18)20)23(30)21(15)22(29)24-12-6-13-28-17(3)25-16(2)26-28/h5,8,10-11,14H,4,6-7,9,12-13H2,1-3H3,(H,24,29).

What are the key properties of 1-(2,3-dihydro-1H-inden-4-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methyl-2-oxopyridine-3-carboxamide?

1-(2,3-dihydro-1H-inden-4-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1H-inden-4-yl)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172657422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).