N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline-2-carboxamide

C22H19N7O2 — CID 91893276

IUPACN-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline-2-carboxamide
SMILESCCCc1noc(-c2ccn3c(CNC(=O)c4ccc5ccccc5n4)nnc3c2)n1
InChIInChI=1S/C22H19N7O2/c1-2-5-18-25-22(31-28-18)15-10-11-29-19(12-15)26-27-20(29)13-23-21(30)17-9-8-14-6-3-4-7-16(14)24-17/h3-4,6-12H,2,5,13H2,1H3,(H,23,30)
InChIKeyYYHUYLRARHKCSL-UHFFFAOYSA-N
MW413.44 g/mol
LogP3.21
Rot. Bonds6

About N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline-2-carboxamide

N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline-2-carboxamide (PubChem CID 91893276) has the molecular formula C22H19N7O2 and a molecular weight of 413.44 g/mol. Its IUPAC name is N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline-2-carboxamide
PubChem CID91893276
Molecular FormulaC22H19N7O2
Molecular Weight413.44 g/mol
Exact Mass413.16
IUPAC NameN-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline-2-carboxamide
SMILESCCCc1noc(-c2ccn3c(CNC(=O)c4ccc5ccccc5n4)nnc3c2)n1
InChIInChI=1S/C22H19N7O2/c1-2-5-18-25-22(31-28-18)15-10-11-29-19(12-15)26-27-20(29)13-23-21(30)17-9-8-14-6-3-4-7-16(14)24-17/h3-4,6-12H,2,5,13H2,1H3,(H,23,30)
InChIKeyYYHUYLRARHKCSL-UHFFFAOYSA-N
XLogP3.21
TPSA111.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline-2-carboxamide?
The IUPAC name of N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline-2-carboxamide (CID 91893276) is N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline-2-carboxamide?
The canonical SMILES for N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline-2-carboxamide is CCCc1noc(-c2ccn3c(CNC(=O)c4ccc5ccccc5n4)nnc3c2)n1.
What is the InChIKey of N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline-2-carboxamide?
The InChIKey is YYHUYLRARHKCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7O2/c1-2-5-18-25-22(31-28-18)15-10-11-29-19(12-15)26-27-20(29)13-23-21(30)17-9-8-14-6-3-4-7-16(14)24-17/h3-4,6-12H,2,5,13H2,1H3,(H,23,30).
What are the key properties of N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline-2-carboxamide?
N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline-2-carboxamide has a molecular weight of 413.44 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline-2-carboxamide is sourced from PubChem (CID 91893276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).