(E)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-phenylbut-2-enamide

C23H20N4O2 — CID 98864202

About (E)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-phenylbut-2-enamide

(E)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-phenylbut-2-enamide (PubChem CID 98864202) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is (E)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-phenylbut-2-enamide.

Molecular Properties

• Compound Name: (E)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-phenylbut-2-enamide
• PubChem CID: 98864202
• Molecular Formula: C23H20N4O2
• Molecular Weight: 384.44 g/mol
• Exact Mass: 384.16
• IUPAC Name: (E)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-phenylbut-2-enamide
• SMILES: C/C(=C\C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1)c1ccccc1
• InChI: InChI=1S/C23H20N4O2/c1-17(19-9-3-2-4-10-19)14-22(28)24-20-11-7-8-18(15-20)16-27-23(29)26-13-6-5-12-21(26)25-27/h2-15H,16H2,1H3,(H,24,28)/b17-14+
• InChIKey: QYAYBMJCLNBPPU-SAPNQHFASA-N
• XLogP: 3.59
• TPSA: 68.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.44
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-phenylbut-2-enamide?

The IUPAC name of (E)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-phenylbut-2-enamide (CID 98864202) is (E)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-phenylbut-2-enamide.

What is the SMILES notation for (E)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-phenylbut-2-enamide?

The canonical SMILES for (E)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-phenylbut-2-enamide is C/C(=C\C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1)c1ccccc1.

What is the InChIKey of (E)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-phenylbut-2-enamide?

The InChIKey is QYAYBMJCLNBPPU-SAPNQHFASA-N. The full InChI is InChI=1S/C23H20N4O2/c1-17(19-9-3-2-4-10-19)14-22(28)24-20-11-7-8-18(15-20)16-27-23(29)26-13-6-5-12-21(26)25-27/h2-15H,16H2,1H3,(H,24,28)/b17-14+.

What are the key properties of (E)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-phenylbut-2-enamide?

(E)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-phenylbut-2-enamide has a molecular weight of 384.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-3-phenylbut-2-enamide is sourced from PubChem (CID 98864202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).