N-[2-oxo-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]ethyl]-2,3-dihydro-1H-indene-5-carboxamide

C21H27N5O3 — CID 95180134

About N-[2-oxo-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]ethyl]-2,3-dihydro-1H-indene-5-carboxamide

N-[2-oxo-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]ethyl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 95180134) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[2-oxo-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]ethyl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-oxo-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]ethyl]-2,3-dihydro-1H-indene-5-carboxamide
• PubChem CID: 95180134
• Molecular Formula: C21H27N5O3
• Molecular Weight: 397.48 g/mol
• Exact Mass: 397.21
• IUPAC Name: N-[2-oxo-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]ethyl]-2,3-dihydro-1H-indene-5-carboxamide
• SMILES: O=C(CNC(=O)c1ccc2c(c1)CCC2)NCCCn1nc2n(c1=O)CCCC2
• InChI: InChI=1S/C21H27N5O3/c27-19(14-23-20(28)17-9-8-15-5-3-6-16(15)13-17)22-10-4-12-26-21(29)25-11-2-1-7-18(25)24-26/h8-9,13H,1-7,10-12,14H2,(H,22,27)(H,23,28)
• InChIKey: PNSFPPOTVJVYSQ-UHFFFAOYSA-N
• XLogP: 0.81
• TPSA: 98.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.48
LogP ≤ 5	0.81
H-Bond Donors ≤ 5	2
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 N-[2-oxo-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]ethyl]-2,3-dihydro-1H-indene-5-carboxamide?

The IUPAC name of N-[2-oxo-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]ethyl]-2,3-dihydro-1H-indene-5-carboxamide (CID 95180134) is N-[2-oxo-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]ethyl]-2,3-dihydro-1H-indene-5-carboxamide.

What is the SMILES notation for N-[2-oxo-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]ethyl]-2,3-dihydro-1H-indene-5-carboxamide?

The canonical SMILES for N-[2-oxo-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]ethyl]-2,3-dihydro-1H-indene-5-carboxamide is O=C(CNC(=O)c1ccc2c(c1)CCC2)NCCCn1nc2n(c1=O)CCCC2.

What is the InChIKey of N-[2-oxo-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]ethyl]-2,3-dihydro-1H-indene-5-carboxamide?

The InChIKey is PNSFPPOTVJVYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c27-19(14-23-20(28)17-9-8-15-5-3-6-16(15)13-17)22-10-4-12-26-21(29)25-11-2-1-7-18(25)24-26/h8-9,13H,1-7,10-12,14H2,(H,22,27)(H,23,28).

What are the key properties of N-[2-oxo-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]ethyl]-2,3-dihydro-1H-indene-5-carboxamide?

N-[2-oxo-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]ethyl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-oxo-2-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propylamino]ethyl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 95180134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).