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

C15H17N5O — CID 75483989

IUPAC6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pyridine-3-carbonitrile
SMILESCc1nc(C2CCCCCN2c2ccc(C#N)cn2)no1
InChIInChI=1S/C15H17N5O/c1-11-18-15(19-21-11)13-5-3-2-4-8-20(13)14-7-6-12(9-16)10-17-14/h6-7,10,13H,2-5,8H2,1H3
InChIKeySTEWRWRDVITUAD-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.77
Rot. Bonds2

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

6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pyridine-3-carbonitrile (PubChem CID 75483989) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pyridine-3-carbonitrile
PubChem CID75483989
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pyridine-3-carbonitrile
SMILESCc1nc(C2CCCCCN2c2ccc(C#N)cn2)no1
InChIInChI=1S/C15H17N5O/c1-11-18-15(19-21-11)13-5-3-2-4-8-20(13)14-7-6-12(9-16)10-17-14/h6-7,10,13H,2-5,8H2,1H3
InChIKeySTEWRWRDVITUAD-UHFFFAOYSA-N
XLogP2.77
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-3-(1-pyrimidin-4-ylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 110254319
6-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile
CID 62662719
(2R)-N-(4-cyanophenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)azepane-1-carboxamide
CID 97343526
6-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 51886207
4-[(2S)-2-hydroxy-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propoxy]benzonitrile
CID 97211601
6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122053434
6-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 51981722
6-[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 155798288
ethyl 2-[(2S)-1-(5-cyano-2-pyridinyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 99795212
5-methyl-3-[1-(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]-1,2,4-oxadiazole
CID 71892460
(2S)-1-(5-cyano-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 30078852
6-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 113233892

Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pyridine-3-carbonitrile (CID 75483989) is 6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pyridine-3-carbonitrile is Cc1nc(C2CCCCCN2c2ccc(C#N)cn2)no1.
What is the InChIKey of 6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pyridine-3-carbonitrile?
The InChIKey is STEWRWRDVITUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-11-18-15(19-21-11)13-5-3-2-4-8-20(13)14-7-6-12(9-16)10-17-14/h6-7,10,13H,2-5,8H2,1H3.
What are the key properties of 6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pyridine-3-carbonitrile?
6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pyridine-3-carbonitrile has a molecular weight of 283.34 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 75483989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).