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

C20H15N7O2 — CID 91893190

IUPACN-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline-2-carboxamide
SMILESCc1noc(-c2ccn3c(CNC(=O)c4ccc5ccccc5n4)nnc3c2)n1
InChIInChI=1S/C20H15N7O2/c1-12-22-20(29-26-12)14-8-9-27-17(10-14)24-25-18(27)11-21-19(28)16-7-6-13-4-2-3-5-15(13)23-16/h2-10H,11H2,1H3,(H,21,28)
InChIKeyFSNVCFITOCOFLI-UHFFFAOYSA-N
MW385.39 g/mol
LogP2.57
Rot. Bonds4

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

N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline-2-carboxamide (PubChem CID 91893190) has the molecular formula C20H15N7O2 and a molecular weight of 385.39 g/mol. Its IUPAC name is N-[[7-(3-methyl-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-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline-2-carboxamide
PubChem CID91893190
Molecular FormulaC20H15N7O2
Molecular Weight385.39 g/mol
Exact Mass385.13
IUPAC NameN-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline-2-carboxamide
SMILESCc1noc(-c2ccn3c(CNC(=O)c4ccc5ccccc5n4)nnc3c2)n1
InChIInChI=1S/C20H15N7O2/c1-12-22-20(29-26-12)14-8-9-27-17(10-14)24-25-18(27)11-21-19(28)16-7-6-13-4-2-3-5-15(13)23-16/h2-10H,11H2,1H3,(H,21,28)
InChIKeyFSNVCFITOCOFLI-UHFFFAOYSA-N
XLogP2.57
TPSA111.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(3-methyl-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-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline-2-carboxamide (CID 91893190) is N-[[7-(3-methyl-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-methyl-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-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline-2-carboxamide is Cc1noc(-c2ccn3c(CNC(=O)c4ccc5ccccc5n4)nnc3c2)n1.
What is the InChIKey of N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline-2-carboxamide?
The InChIKey is FSNVCFITOCOFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7O2/c1-12-22-20(29-26-12)14-8-9-27-17(10-14)24-25-18(27)11-21-19(28)16-7-6-13-4-2-3-5-15(13)23-16/h2-10H,11H2,1H3,(H,21,28).
What are the key properties of N-[[7-(3-methyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]quinoline-2-carboxamide?
N-[[7-(3-methyl-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 385.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(3-methyl-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 91893190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).