N,N-dimethyl-5-[3-[3-(1-quinolin-6-ylcyclopropyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]phenyl]pyridine-2-carboxamide

C30H24N8O — CID 24830298

About N,N-dimethyl-5-[3-[3-(1-quinolin-6-ylcyclopropyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]phenyl]pyridine-2-carboxamide

N,N-dimethyl-5-[3-[3-(1-quinolin-6-ylcyclopropyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]phenyl]pyridine-2-carboxamide (PubChem CID 24830298) has the molecular formula C30H24N8O and a molecular weight of 512.58 g/mol. Its IUPAC name is N,N-dimethyl-5-[3-[3-(1-quinolin-6-ylcyclopropyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N,N-dimethyl-5-[3-[3-(1-quinolin-6-ylcyclopropyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]phenyl]pyridine-2-carboxamide
• PubChem CID: 24830298
• Molecular Formula: C30H24N8O
• Molecular Weight: 512.58 g/mol
• Exact Mass: 512.21
• IUPAC Name: N,N-dimethyl-5-[3-[3-(1-quinolin-6-ylcyclopropyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]phenyl]pyridine-2-carboxamide
• SMILES: CN(C)C(=O)c1ccc(-c2cccc(-c3cnc4nnc(C5(c6ccc7ncccc7c6)CC5)n4n3)c2)cn1
• InChI: InChI=1S/C30H24N8O/c1-37(2)27(39)25-10-8-22(17-32-25)19-5-3-6-20(15-19)26-18-33-29-35-34-28(38(29)36-26)30(12-13-30)23-9-11-24-21(16-23)7-4-14-31-24/h3-11,14-18H,12-13H2,1-2H3
• InChIKey: DTZDULMYNTVAQT-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 102.06 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.58
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[3-[3-(1-quinolin-6-ylcyclopropyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]phenyl]pyridine-2-carboxamide?

The IUPAC name of N,N-dimethyl-5-[3-[3-(1-quinolin-6-ylcyclopropyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]phenyl]pyridine-2-carboxamide (CID 24830298) is N,N-dimethyl-5-[3-[3-(1-quinolin-6-ylcyclopropyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]phenyl]pyridine-2-carboxamide.

What is the SMILES notation for N,N-dimethyl-5-[3-[3-(1-quinolin-6-ylcyclopropyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]phenyl]pyridine-2-carboxamide?

The canonical SMILES for N,N-dimethyl-5-[3-[3-(1-quinolin-6-ylcyclopropyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]phenyl]pyridine-2-carboxamide is CN(C)C(=O)c1ccc(-c2cccc(-c3cnc4nnc(C5(c6ccc7ncccc7c6)CC5)n4n3)c2)cn1.

What is the InChIKey of N,N-dimethyl-5-[3-[3-(1-quinolin-6-ylcyclopropyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]phenyl]pyridine-2-carboxamide?

The InChIKey is DTZDULMYNTVAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N8O/c1-37(2)27(39)25-10-8-22(17-32-25)19-5-3-6-20(15-19)26-18-33-29-35-34-28(38(29)36-26)30(12-13-30)23-9-11-24-21(16-23)7-4-14-31-24/h3-11,14-18H,12-13H2,1-2H3.

What are the key properties of N,N-dimethyl-5-[3-[3-(1-quinolin-6-ylcyclopropyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]phenyl]pyridine-2-carboxamide?

N,N-dimethyl-5-[3-[3-(1-quinolin-6-ylcyclopropyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 512.58 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-5-[3-[3-(1-quinolin-6-ylcyclopropyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 24830298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).