N-(1-hydroxy-3-phenylpropan-2-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C17H18N4O2 — CID 109387957

About N-(1-hydroxy-3-phenylpropan-2-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

N-(1-hydroxy-3-phenylpropan-2-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 109387957) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(1-hydroxy-3-phenylpropan-2-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-(1-hydroxy-3-phenylpropan-2-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• PubChem CID: 109387957
• Molecular Formula: C17H18N4O2
• Molecular Weight: 310.36 g/mol
• Exact Mass: 310.14
• IUPAC Name: N-(1-hydroxy-3-phenylpropan-2-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
• SMILES: Cc1nnc2ccc(C(=O)NC(CO)Cc3ccccc3)cn12
• InChI: InChI=1S/C17H18N4O2/c1-12-19-20-16-8-7-14(10-21(12)16)17(23)18-15(11-22)9-13-5-3-2-4-6-13/h2-8,10,15,22H,9,11H2,1H3,(H,18,23)
• InChIKey: DRNHSYHLWPKOJE-UHFFFAOYSA-N
• XLogP: 1.37
• TPSA: 79.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	310.36
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 109387957) is N-(1-hydroxy-3-phenylpropan-2-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

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

The canonical SMILES for N-(1-hydroxy-3-phenylpropan-2-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is Cc1nnc2ccc(C(=O)NC(CO)Cc3ccccc3)cn12.

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

The InChIKey is DRNHSYHLWPKOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12-19-20-16-8-7-14(10-21(12)16)17(23)18-15(11-22)9-13-5-3-2-4-6-13/h2-8,10,15,22H,9,11H2,1H3,(H,18,23).

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

N-(1-hydroxy-3-phenylpropan-2-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-hydroxy-3-phenylpropan-2-yl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 109387957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).