6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile

C9H7N5O — CID 106398793

IUPAC6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile
SMILESN#Cc1cccc(NCc2ncon2)n1
InChIInChI=1S/C9H7N5O/c10-4-7-2-1-3-8(13-7)11-5-9-12-6-15-14-9/h1-3,6H,5H2,(H,11,13)
InChIKeyOLTXIZLKAWTTLU-UHFFFAOYSA-N
MW201.19 g/mol
LogP0.95
Rot. Bonds3

About 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile

6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile (PubChem CID 106398793) has the molecular formula C9H7N5O and a molecular weight of 201.19 g/mol. Its IUPAC name is 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile
PubChem CID106398793
Molecular FormulaC9H7N5O
Molecular Weight201.19 g/mol
Exact Mass201.07
IUPAC Name6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile
SMILESN#Cc1cccc(NCc2ncon2)n1
InChIInChI=1S/C9H7N5O/c10-4-7-2-1-3-8(13-7)11-5-9-12-6-15-14-9/h1-3,6H,5H2,(H,11,13)
InChIKeyOLTXIZLKAWTTLU-UHFFFAOYSA-N
XLogP0.95
TPSA87.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine
CID 106403349
5-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile
CID 106398864
6-ethoxy-N-(1,2,4-oxadiazol-3-ylmethyl)pyridin-2-amine
CID 106403626
6-(2H-tetrazol-5-ylmethylamino)pyridine-2-carbonitrile
CID 64589167
6-[[4-(aminomethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 81090675
6-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-2-carbonitrile
CID 64588768
5-[[(6-cyano-2-pyridinyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099512
2,3-difluoro-4-(1,2,4-oxadiazol-3-ylmethylamino)benzonitrile
CID 114183778
6-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]pyridine-2-carbonitrile
CID 133392021
4-(1,2,4-oxadiazol-3-ylmethylamino)cinnoline-3-carbonitrile
CID 106403462
6-(3-cyanopropylamino)pyridine-2-carbonitrile
CID 130778540
4-[[(6-cyano-2-pyridinyl)amino]methyl]benzoic acid
CID 64588346

Frequently Asked Questions

What is the IUPAC name of 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile?
The IUPAC name of 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile (CID 106398793) is 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile?
The canonical SMILES for 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile is N#Cc1cccc(NCc2ncon2)n1.
What is the InChIKey of 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile?
The InChIKey is OLTXIZLKAWTTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O/c10-4-7-2-1-3-8(13-7)11-5-9-12-6-15-14-9/h1-3,6H,5H2,(H,11,13).
What are the key properties of 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile?
6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile has a molecular weight of 201.19 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 106398793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).