2-(pyridin-3-ylamino)acetonitrile

C7H7N3 — CID 24972763

IUPAC2-(pyridin-3-ylamino)acetonitrile
SMILESN#CCNc1cccnc1
InChIInChI=1S/C7H7N3/c8-3-5-10-7-2-1-4-9-6-7/h1-2,4,6,10H,5H2
InChIKeyHOKGIJPZHVQMJD-UHFFFAOYSA-N
MW133.15 g/mol
LogP1.02
Rot. Bonds2

About 2-(pyridin-3-ylamino)acetonitrile

2-(pyridin-3-ylamino)acetonitrile (PubChem CID 24972763) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 2-(pyridin-3-ylamino)acetonitrile.

Molecular Properties

Compound Name2-(pyridin-3-ylamino)acetonitrile
PubChem CID24972763
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name2-(pyridin-3-ylamino)acetonitrile
SMILESN#CCNc1cccnc1
InChIInChI=1S/C7H7N3/c8-3-5-10-7-2-1-4-9-6-7/h1-2,4,6,10H,5H2
InChIKeyHOKGIJPZHVQMJD-UHFFFAOYSA-N
XLogP1.02
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze 2-(pyridin-3-ylamino)acetonitrile 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

2-[[2-methyl-6-(pyridin-3-ylamino)pyrimidin-4-yl]amino]acetonitrile
CID 115266775
N-(cyanomethyl)-N'-pyridin-3-yloxamide
CID 43315640
N-methyl-N'-pyridin-3-ylmethanediamine
CID 115226589
pyridin-3-ylcyanamide
CID 12652072
2-[[(1S)-1-pyridin-3-ylethyl]amino]acetonitrile
CID 81405202
ethane;N-methylpyridin-3-amine
CID 91430147
azane;N-methylpyridin-3-amine
CID 70247108
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
5-[(pyridin-3-ylamino)methyl]furan-2-carbonitrile
CID 115692616
N-(2-methylbutyl)pyridin-3-amine
CID 43200734
(pyridin-3-ylamino)mercury(1+)
CID 16685218
N-fluoropyridin-3-amine
CID 141274626

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylamino)acetonitrile?
The IUPAC name of 2-(pyridin-3-ylamino)acetonitrile (CID 24972763) is 2-(pyridin-3-ylamino)acetonitrile.
What is the SMILES notation for 2-(pyridin-3-ylamino)acetonitrile?
The canonical SMILES for 2-(pyridin-3-ylamino)acetonitrile is N#CCNc1cccnc1.
What is the InChIKey of 2-(pyridin-3-ylamino)acetonitrile?
The InChIKey is HOKGIJPZHVQMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c8-3-5-10-7-2-1-4-9-6-7/h1-2,4,6,10H,5H2.
What are the key properties of 2-(pyridin-3-ylamino)acetonitrile?
2-(pyridin-3-ylamino)acetonitrile has a molecular weight of 133.15 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylamino)acetonitrile is sourced from PubChem (CID 24972763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).