6-[5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile

C17H11N7O2 — CID 119042977

IUPAC6-[5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2noc(CCc3nc(-c4ccncc4)no3)n2)nc1
InChIInChI=1S/C17H11N7O2/c18-9-11-1-2-13(20-10-11)17-22-15(26-24-17)4-3-14-21-16(23-25-14)12-5-7-19-8-6-12/h1-2,5-8,10H,3-4H2
InChIKeyIMARMCYMVBELNQ-UHFFFAOYSA-N
MW345.32 g/mol
LogP2.23
Rot. Bonds5

About 6-[5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile

6-[5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile (PubChem CID 119042977) has the molecular formula C17H11N7O2 and a molecular weight of 345.32 g/mol. Its IUPAC name is 6-[5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile
PubChem CID119042977
Molecular FormulaC17H11N7O2
Molecular Weight345.32 g/mol
Exact Mass345.10
IUPAC Name6-[5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2noc(CCc3nc(-c4ccncc4)no3)n2)nc1
InChIInChI=1S/C17H11N7O2/c18-9-11-1-2-13(20-10-11)17-22-15(26-24-17)4-3-14-21-16(23-25-14)12-5-7-19-8-6-12/h1-2,5-8,10H,3-4H2
InChIKeyIMARMCYMVBELNQ-UHFFFAOYSA-N
XLogP2.23
TPSA127.41 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63347367
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 37134678
N-propan-2-yl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 54924301
4-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104704173
6-[5-(3-methoxy-5-pyridin-3-ylphenyl)-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile
CID 142165413
6-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]pyridine-2-carbonitrile
CID 133392021
6-[4-(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
CID 11849612
5-(2,2-diphenylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 752713
6-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 71876923
5-(2-piperidin-2-ylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 55049135
4-[[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzonitrile
CID 104677275
6-[5-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile
CID 97101760

Frequently Asked Questions

What is the IUPAC name of 6-[5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile (CID 119042977) is 6-[5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile is N#Cc1ccc(-c2noc(CCc3nc(-c4ccncc4)no3)n2)nc1.
What is the InChIKey of 6-[5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile?
The InChIKey is IMARMCYMVBELNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N7O2/c18-9-11-1-2-13(20-10-11)17-22-15(26-24-17)4-3-14-21-16(23-25-14)12-5-7-19-8-6-12/h1-2,5-8,10H,3-4H2.
What are the key properties of 6-[5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile?
6-[5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile has a molecular weight of 345.32 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 119042977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).