N-[5-[4-[2-(azetidin-1-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C21H21N5O2 — CID 67330143

About N-[5-[4-[2-(azetidin-1-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-[2-(azetidin-1-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 67330143) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[5-[4-[2-(azetidin-1-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[4-[2-(azetidin-1-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
• PubChem CID: 67330143
• Molecular Formula: C21H21N5O2
• Molecular Weight: 375.43 g/mol
• Exact Mass: 375.17
• IUPAC Name: N-[5-[4-[2-(azetidin-1-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
• SMILES: O=C(Nc1nc2cccc(-c3ccc(CC(=O)N4CCC4)cc3)n2n1)C1CC1
• InChI: InChI=1S/C21H21N5O2/c27-19(25-11-2-12-25)13-14-5-7-15(8-6-14)17-3-1-4-18-22-21(24-26(17)18)23-20(28)16-9-10-16/h1,3-8,16H,2,9-13H2,(H,23,24,28)
• InChIKey: BNNRLFSZEKDCEJ-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 79.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.43
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[2-(azetidin-1-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The IUPAC name of N-[5-[4-[2-(azetidin-1-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 67330143) is N-[5-[4-[2-(azetidin-1-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[5-[4-[2-(azetidin-1-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[5-[4-[2-(azetidin-1-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(CC(=O)N4CCC4)cc3)n2n1)C1CC1.

What is the InChIKey of N-[5-[4-[2-(azetidin-1-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The InChIKey is BNNRLFSZEKDCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-19(25-11-2-12-25)13-14-5-7-15(8-6-14)17-3-1-4-18-22-21(24-26(17)18)23-20(28)16-9-10-16/h1,3-8,16H,2,9-13H2,(H,23,24,28).

What are the key properties of N-[5-[4-[2-(azetidin-1-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

N-[5-[4-[2-(azetidin-1-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-[2-(azetidin-1-yl)-2-oxoethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 67330143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).