6-chloro-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]pyridine-3-carboxamide

C18H23ClN6O2 — CID 134804063

About 6-chloro-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]pyridine-3-carboxamide

6-chloro-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 134804063) has the molecular formula C18H23ClN6O2 and a molecular weight of 390.88 g/mol. Its IUPAC name is 6-chloro-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-chloro-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]pyridine-3-carboxamide
• PubChem CID: 134804063
• Molecular Formula: C18H23ClN6O2
• Molecular Weight: 390.88 g/mol
• Exact Mass: 390.16
• IUPAC Name: 6-chloro-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]pyridine-3-carboxamide
• SMILES: O=C(NC1CCN(CCn2nc3n(c2=O)CCCC3)C1)c1ccc(Cl)nc1
• InChI: InChI=1S/C18H23ClN6O2/c19-15-5-4-13(11-20-15)17(26)21-14-6-8-23(12-14)9-10-25-18(27)24-7-2-1-3-16(24)22-25/h4-5,11,14H,1-3,6-10,12H2,(H,21,26)
• InChIKey: WEUJGTNZPGZSBV-UHFFFAOYSA-N
• XLogP: 0.93
• TPSA: 85.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.88
LogP ≤ 5	0.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 6-chloro-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]pyridine-3-carboxamide (CID 134804063) is 6-chloro-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]pyridine-3-carboxamide.

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

The canonical SMILES for 6-chloro-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]pyridine-3-carboxamide is O=C(NC1CCN(CCn2nc3n(c2=O)CCCC3)C1)c1ccc(Cl)nc1.

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

The InChIKey is WEUJGTNZPGZSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O2/c19-15-5-4-13(11-20-15)17(26)21-14-6-8-23(12-14)9-10-25-18(27)24-7-2-1-3-16(24)22-25/h4-5,11,14H,1-3,6-10,12H2,(H,21,26).

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

6-chloro-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 390.88 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-[1-[2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]pyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134804063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).