5,6-dichloro-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pyridine-3-carboxamide

C19H13Cl2N5O2 — CID 55763009

About 5,6-dichloro-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pyridine-3-carboxamide

5,6-dichloro-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pyridine-3-carboxamide (PubChem CID 55763009) has the molecular formula C19H13Cl2N5O2 and a molecular weight of 414.25 g/mol. Its IUPAC name is 5,6-dichloro-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5,6-dichloro-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pyridine-3-carboxamide
• PubChem CID: 55763009
• Molecular Formula: C19H13Cl2N5O2
• Molecular Weight: 414.25 g/mol
• Exact Mass: 413.04
• IUPAC Name: 5,6-dichloro-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pyridine-3-carboxamide
• SMILES: O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)c1cnc(Cl)c(Cl)c1
• InChI: InChI=1S/C19H13Cl2N5O2/c20-15-9-13(10-22-17(15)21)18(27)23-14-5-3-4-12(8-14)11-26-19(28)25-7-2-1-6-16(25)24-26/h1-10H,11H2,(H,23,27)
• InChIKey: OPDMALPPKQFGJN-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 81.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.25
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pyridine-3-carboxamide?

The IUPAC name of 5,6-dichloro-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pyridine-3-carboxamide (CID 55763009) is 5,6-dichloro-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 5,6-dichloro-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pyridine-3-carboxamide?

The canonical SMILES for 5,6-dichloro-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)c1cnc(Cl)c(Cl)c1.

What is the InChIKey of 5,6-dichloro-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pyridine-3-carboxamide?

The InChIKey is OPDMALPPKQFGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N5O2/c20-15-9-13(10-22-17(15)21)18(27)23-14-5-3-4-12(8-14)11-26-19(28)25-7-2-1-6-16(25)24-26/h1-10H,11H2,(H,23,27).

What are the key properties of 5,6-dichloro-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pyridine-3-carboxamide?

5,6-dichloro-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 414.25 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-dichloro-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55763009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).