N-methyl-2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]pyridine-3-carboxamide

C22H18N8O — CID 148707526

About N-methyl-2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]pyridine-3-carboxamide

N-methyl-2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]pyridine-3-carboxamide (PubChem CID 148707526) has the molecular formula C22H18N8O and a molecular weight of 410.44 g/mol. Its IUPAC name is N-methyl-2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-methyl-2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]pyridine-3-carboxamide
• PubChem CID: 148707526
• Molecular Formula: C22H18N8O
• Molecular Weight: 410.44 g/mol
• Exact Mass: 410.16
• IUPAC Name: N-methyl-2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]pyridine-3-carboxamide
• SMILES: CNC(=O)c1cccnc1Cc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
• InChI: InChI=1S/C22H18N8O/c1-23-22(31)17-5-3-9-25-19(17)11-16-12-26-20-21(27-16)30(29-28-20)13-14-6-7-18-15(10-14)4-2-8-24-18/h2-10,12H,11,13H2,1H3,(H,23,31)
• InChIKey: NWOQLUQECRLBHR-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 111.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.44
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]pyridine-3-carboxamide?

The IUPAC name of N-methyl-2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]pyridine-3-carboxamide (CID 148707526) is N-methyl-2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]pyridine-3-carboxamide.

What is the SMILES notation for N-methyl-2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]pyridine-3-carboxamide?

The canonical SMILES for N-methyl-2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]pyridine-3-carboxamide is CNC(=O)c1cccnc1Cc1cnc2nnn(Cc3ccc4ncccc4c3)c2n1.

What is the InChIKey of N-methyl-2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]pyridine-3-carboxamide?

The InChIKey is NWOQLUQECRLBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N8O/c1-23-22(31)17-5-3-9-25-19(17)11-16-12-26-20-21(27-16)30(29-28-20)13-14-6-7-18-15(10-14)4-2-8-24-18/h2-10,12H,11,13H2,1H3,(H,23,31).

What are the key properties of N-methyl-2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]pyridine-3-carboxamide?

N-methyl-2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]pyridine-3-carboxamide has a molecular weight of 410.44 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 148707526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).