N-(2-aminoethyl)-3-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C18H21N5O — CID 84614323

About N-(2-aminoethyl)-3-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-(2-aminoethyl)-3-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 84614323) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-(2-aminoethyl)-3-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• PubChem CID: 84614323
• Molecular Formula: C18H21N5O
• Molecular Weight: 323.40 g/mol
• Exact Mass: 323.17
• IUPAC Name: N-(2-aminoethyl)-3-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• SMILES: Cc1ccc(Cc2nnc3ccc(C(=O)NCCN)cn23)cc1C
• InChI: InChI=1S/C18H21N5O/c1-12-3-4-14(9-13(12)2)10-17-22-21-16-6-5-15(11-23(16)17)18(24)20-8-7-19/h3-6,9,11H,7-8,10,19H2,1-2H3,(H,20,24)
• InChIKey: BJAIQIFQWJHDNL-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 85.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.40
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The IUPAC name of N-(2-aminoethyl)-3-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 84614323) is N-(2-aminoethyl)-3-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

What is the SMILES notation for N-(2-aminoethyl)-3-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The canonical SMILES for N-(2-aminoethyl)-3-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is Cc1ccc(Cc2nnc3ccc(C(=O)NCCN)cn23)cc1C.

What is the InChIKey of N-(2-aminoethyl)-3-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

The InChIKey is BJAIQIFQWJHDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-3-4-14(9-13(12)2)10-17-22-21-16-6-5-15(11-23(16)17)18(24)20-8-7-19/h3-6,9,11H,7-8,10,19H2,1-2H3,(H,20,24).

What are the key properties of N-(2-aminoethyl)-3-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?

N-(2-aminoethyl)-3-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)-3-[(3,4-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 84614323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).