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

C22H18N8O — CID 153129012

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

N-methyl-2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]pyridine-4-carboxamide (PubChem CID 153129012) 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-4-carboxamide.

Molecular Properties

• Compound Name: N-methyl-2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]pyridine-4-carboxamide
• PubChem CID: 153129012
• 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-4-carboxamide
• SMILES: CNC(=O)c1ccnc(Cc2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)c1
• InChI: InChI=1S/C22H18N8O/c1-23-22(31)16-6-8-24-17(10-16)11-18-12-26-20-21(27-18)30(29-28-20)13-14-4-5-19-15(9-14)3-2-7-25-19/h2-10,12H,11,13H2,1H3,(H,23,31)
• InChIKey: VWJCLKABHVWYHA-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-4-carboxamide?

The IUPAC name of N-methyl-2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]pyridine-4-carboxamide (CID 153129012) is N-methyl-2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]pyridine-4-carboxamide.

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

The canonical SMILES for N-methyl-2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]pyridine-4-carboxamide is CNC(=O)c1ccnc(Cc2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)c1.

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

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

N-methyl-2-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]pyridine-4-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-4-carboxamide is sourced from PubChem (CID 153129012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).