N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1H-indole-2-carboxamide

C18H21N5O2 — CID 47068182

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

N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1H-indole-2-carboxamide (PubChem CID 47068182) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1H-indole-2-carboxamide
• PubChem CID: 47068182
• Molecular Formula: C18H21N5O2
• Molecular Weight: 339.40 g/mol
• Exact Mass: 339.17
• IUPAC Name: N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1H-indole-2-carboxamide
• SMILES: O=C(NCCCn1nc2n(c1=O)CCCC2)c1cc2ccccc2[nH]1
• InChI: InChI=1S/C18H21N5O2/c24-17(15-12-13-6-1-2-7-14(13)20-15)19-9-5-11-23-18(25)22-10-4-3-8-16(22)21-23/h1-2,6-7,12,20H,3-5,8-11H2,(H,19,24)
• InChIKey: DAZOEIRXCPNCFK-UHFFFAOYSA-N
• XLogP: 1.68
• TPSA: 84.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.40
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1H-indole-2-carboxamide?

The IUPAC name of N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1H-indole-2-carboxamide (CID 47068182) is N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1H-indole-2-carboxamide.

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

The canonical SMILES for N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1H-indole-2-carboxamide is O=C(NCCCn1nc2n(c1=O)CCCC2)c1cc2ccccc2[nH]1.

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

The InChIKey is DAZOEIRXCPNCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-17(15-12-13-6-1-2-7-14(13)20-15)19-9-5-11-23-18(25)22-10-4-3-8-16(22)21-23/h1-2,6-7,12,20H,3-5,8-11H2,(H,19,24).

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

N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1H-indole-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 47068182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).