N-[8-[2-oxo-1-(pyridin-3-ylmethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C21H18N6O2 — CID 44624255

About N-[8-[2-oxo-1-(pyridin-3-ylmethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[8-[2-oxo-1-(pyridin-3-ylmethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 44624255) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is N-[8-[2-oxo-1-(pyridin-3-ylmethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[8-[2-oxo-1-(pyridin-3-ylmethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
• PubChem CID: 44624255
• Molecular Formula: C21H18N6O2
• Molecular Weight: 386.42 g/mol
• Exact Mass: 386.15
• IUPAC Name: N-[8-[2-oxo-1-(pyridin-3-ylmethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
• SMILES: O=C(Nc1nc2c(-c3ccn(Cc4cccnc4)c(=O)c3)cccn2n1)C1CC1
• InChI: InChI=1S/C21H18N6O2/c28-18-11-16(7-10-26(18)13-14-3-1-8-22-12-14)17-4-2-9-27-19(17)23-21(25-27)24-20(29)15-5-6-15/h1-4,7-12,15H,5-6,13H2,(H,24,25,29)
• InChIKey: IOZRGFZBBHVEEC-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 94.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.42
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[8-[2-oxo-1-(pyridin-3-ylmethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The IUPAC name of N-[8-[2-oxo-1-(pyridin-3-ylmethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 44624255) is N-[8-[2-oxo-1-(pyridin-3-ylmethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[8-[2-oxo-1-(pyridin-3-ylmethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[8-[2-oxo-1-(pyridin-3-ylmethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2c(-c3ccn(Cc4cccnc4)c(=O)c3)cccn2n1)C1CC1.

What is the InChIKey of N-[8-[2-oxo-1-(pyridin-3-ylmethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The InChIKey is IOZRGFZBBHVEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c28-18-11-16(7-10-26(18)13-14-3-1-8-22-12-14)17-4-2-9-27-19(17)23-21(25-27)24-20(29)15-5-6-15/h1-4,7-12,15H,5-6,13H2,(H,24,25,29).

What are the key properties of N-[8-[2-oxo-1-(pyridin-3-ylmethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

N-[8-[2-oxo-1-(pyridin-3-ylmethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 386.42 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-[2-oxo-1-(pyridin-3-ylmethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 44624255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).