[5-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid

C20H16N6O3 — CID 90107603

About [5-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid

[5-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid (PubChem CID 90107603) has the molecular formula C20H16N6O3 and a molecular weight of 388.39 g/mol. Its IUPAC name is [5-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [5-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid
• PubChem CID: 90107603
• Molecular Formula: C20H16N6O3
• Molecular Weight: 388.39 g/mol
• Exact Mass: 388.13
• IUPAC Name: [5-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid
• SMILES: O=C(O)Nc1nc2cccc(-c3ccc(CC(=O)Nc4cccnc4)cc3)n2n1
• InChI: InChI=1S/C20H16N6O3/c27-18(22-15-3-2-10-21-12-15)11-13-6-8-14(9-7-13)16-4-1-5-17-23-19(24-20(28)29)25-26(16)17/h1-10,12H,11H2,(H,22,27)(H,24,25)(H,28,29)
• InChIKey: JXHVSYCNYFXPKE-UHFFFAOYSA-N
• XLogP: 3.06
• TPSA: 121.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.39
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [5-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid?

The IUPAC name of [5-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid (CID 90107603) is [5-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid.

What is the SMILES notation for [5-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid?

The canonical SMILES for [5-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid is O=C(O)Nc1nc2cccc(-c3ccc(CC(=O)Nc4cccnc4)cc3)n2n1.

What is the InChIKey of [5-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid?

The InChIKey is JXHVSYCNYFXPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O3/c27-18(22-15-3-2-10-21-12-15)11-13-6-8-14(9-7-13)16-4-1-5-17-23-19(24-20(28)29)25-26(16)17/h1-10,12H,11H2,(H,22,27)(H,24,25)(H,28,29).

What are the key properties of [5-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid?

[5-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid has a molecular weight of 388.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid is sourced from PubChem (CID 90107603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).