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

C19H17ClN6O2 — CID 91893280

IUPAC3-chloro-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
SMILESCCCc1noc(-c2ccn3c(CNC(=O)c4cccc(Cl)c4)nnc3c2)n1
InChIInChI=1S/C19H17ClN6O2/c1-2-4-15-22-19(28-25-15)13-7-8-26-16(10-13)23-24-17(26)11-21-18(27)12-5-3-6-14(20)9-12/h3,5-10H,2,4,11H2,1H3,(H,21,27)
InChIKeyDUPCRERMFCJKTP-UHFFFAOYSA-N
MW396.84 g/mol
LogP3.32
Rot. Bonds6

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

3-chloro-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide (PubChem CID 91893280) has the molecular formula C19H17ClN6O2 and a molecular weight of 396.84 g/mol. Its IUPAC name is 3-chloro-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
PubChem CID91893280
Molecular FormulaC19H17ClN6O2
Molecular Weight396.84 g/mol
Exact Mass396.11
IUPAC Name3-chloro-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
SMILESCCCc1noc(-c2ccn3c(CNC(=O)c4cccc(Cl)c4)nnc3c2)n1
InChIInChI=1S/C19H17ClN6O2/c1-2-4-15-22-19(28-25-15)13-7-8-26-16(10-13)23-24-17(26)11-21-18(27)12-5-3-6-14(20)9-12/h3,5-10H,2,4,11H2,1H3,(H,21,27)
InChIKeyDUPCRERMFCJKTP-UHFFFAOYSA-N
XLogP3.32
TPSA98.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.84
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The IUPAC name of 3-chloro-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide (CID 91893280) is 3-chloro-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The canonical SMILES for 3-chloro-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide is CCCc1noc(-c2ccn3c(CNC(=O)c4cccc(Cl)c4)nnc3c2)n1.
What is the InChIKey of 3-chloro-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The InChIKey is DUPCRERMFCJKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6O2/c1-2-4-15-22-19(28-25-15)13-7-8-26-16(10-13)23-24-17(26)11-21-18(27)12-5-3-6-14(20)9-12/h3,5-10H,2,4,11H2,1H3,(H,21,27).
What are the key properties of 3-chloro-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
3-chloro-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide has a molecular weight of 396.84 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[7-(3-propyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide is sourced from PubChem (CID 91893280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).