N-[(E)-1-amino-3-benzyliminoprop-1-en-2-yl]-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carboxamide

C23H22N8O2 — CID 165374253

About N-[(E)-1-amino-3-benzyliminoprop-1-en-2-yl]-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carboxamide

N-[(E)-1-amino-3-benzyliminoprop-1-en-2-yl]-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carboxamide (PubChem CID 165374253) has the molecular formula C23H22N8O2 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-[(E)-1-amino-3-benzyliminoprop-1-en-2-yl]-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(E)-1-amino-3-benzyliminoprop-1-en-2-yl]-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carboxamide
• PubChem CID: 165374253
• Molecular Formula: C23H22N8O2
• Molecular Weight: 442.48 g/mol
• Exact Mass: 442.19
• IUPAC Name: N-[(E)-1-amino-3-benzyliminoprop-1-en-2-yl]-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carboxamide
• SMILES: COc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)NC(/C=N/Cc1ccccc1)=C/N
• InChI: InChI=1S/C23H22N8O2/c1-33-22-19(21(32)28-18(11-24)14-26-12-15-5-3-2-4-6-15)9-17(13-27-22)16-7-8-31-20(10-16)29-23(25)30-31/h2-11,13-14H,12,24H2,1H3,(H2,25,30)(H,28,32)/b18-11+,26-14+
• InChIKey: XZDGRGPROIAYLK-OYQYLWLUSA-N
• XLogP: 2.18
• TPSA: 145.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.48
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-amino-3-benzyliminoprop-1-en-2-yl]-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carboxamide?

The IUPAC name of N-[(E)-1-amino-3-benzyliminoprop-1-en-2-yl]-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carboxamide (CID 165374253) is N-[(E)-1-amino-3-benzyliminoprop-1-en-2-yl]-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carboxamide.

What is the SMILES notation for N-[(E)-1-amino-3-benzyliminoprop-1-en-2-yl]-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carboxamide?

The canonical SMILES for N-[(E)-1-amino-3-benzyliminoprop-1-en-2-yl]-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carboxamide is COc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)NC(/C=N/Cc1ccccc1)=C/N.

What is the InChIKey of N-[(E)-1-amino-3-benzyliminoprop-1-en-2-yl]-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carboxamide?

The InChIKey is XZDGRGPROIAYLK-OYQYLWLUSA-N. The full InChI is InChI=1S/C23H22N8O2/c1-33-22-19(21(32)28-18(11-24)14-26-12-15-5-3-2-4-6-15)9-17(13-27-22)16-7-8-31-20(10-16)29-23(25)30-31/h2-11,13-14H,12,24H2,1H3,(H2,25,30)(H,28,32)/b18-11+,26-14+.

What are the key properties of N-[(E)-1-amino-3-benzyliminoprop-1-en-2-yl]-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carboxamide?

N-[(E)-1-amino-3-benzyliminoprop-1-en-2-yl]-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carboxamide has a molecular weight of 442.48 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(E)-1-amino-3-benzyliminoprop-1-en-2-yl]-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 165374253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).