5-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile

C9H7N5O — CID 106398864

IUPAC5-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCc2ncon2)cn1
InChIInChI=1S/C9H7N5O/c10-3-7-1-2-8(4-11-7)12-5-9-13-6-15-14-9/h1-2,4,6,12H,5H2
InChIKeyLZKMOBLKHYBKDE-UHFFFAOYSA-N
MW201.19 g/mol
LogP0.95
Rot. Bonds3

About 5-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile

5-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile (PubChem CID 106398864) has the molecular formula C9H7N5O and a molecular weight of 201.19 g/mol. Its IUPAC name is 5-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile
PubChem CID106398864
Molecular FormulaC9H7N5O
Molecular Weight201.19 g/mol
Exact Mass201.07
IUPAC Name5-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCc2ncon2)cn1
InChIInChI=1S/C9H7N5O/c10-3-7-1-2-8(4-11-7)12-5-9-13-6-15-14-9/h1-2,4,6,12H,5H2
InChIKeyLZKMOBLKHYBKDE-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

Analyze 5-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile
CID 106398793
5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbonitrile
CID 79839878
5-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-2-carbonitrile
CID 79839784
2,3-difluoro-4-(1,2,4-oxadiazol-3-ylmethylamino)benzonitrile
CID 114183778
5-(thiophen-3-ylmethylamino)pyridine-2-carbonitrile
CID 79840154
5-(1H-pyrazol-4-ylmethylamino)pyridine-2-carbonitrile
CID 115490190
2-methyl-4-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,4-diamine
CID 106393331
5-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyridine-2-carbonitrile
CID 86805393
5-[(2,5-difluorophenyl)methylamino]pyridine-2-carbonitrile
CID 79840079
5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile
CID 102609041
5-[(4-methylthiophen-3-yl)methylamino]pyridine-2-carbonitrile
CID 115487781
5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridine-2-carbonitrile
CID 133335271

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile?
The IUPAC name of 5-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile (CID 106398864) is 5-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile?
The canonical SMILES for 5-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile is N#Cc1ccc(NCc2ncon2)cn1.
What is the InChIKey of 5-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile?
The InChIKey is LZKMOBLKHYBKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O/c10-3-7-1-2-8(4-11-7)12-5-9-13-6-15-14-9/h1-2,4,6,12H,5H2.
What are the key properties of 5-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile?
5-(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 5-(1,2,4-oxadiazol-3-ylmethylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 106398864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).