3-[(6-methyl-2-pyridinyl)amino]propanenitrile

C9H11N3 — CID 130918867

IUPAC3-[(6-methyl-2-pyridinyl)amino]propanenitrile
SMILESCc1cccc(NCCC#N)n1
InChIInChI=1S/C9H11N3/c1-8-4-2-5-9(12-8)11-7-3-6-10/h2,4-5H,3,7H2,1H3,(H,11,12)
InChIKeyKHTHIXLFJVCLNL-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.72
Rot. Bonds3

About 3-[(6-methyl-2-pyridinyl)amino]propanenitrile

3-[(6-methyl-2-pyridinyl)amino]propanenitrile (PubChem CID 130918867) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 3-[(6-methyl-2-pyridinyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(6-methyl-2-pyridinyl)amino]propanenitrile
PubChem CID130918867
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name3-[(6-methyl-2-pyridinyl)amino]propanenitrile
SMILESCc1cccc(NCCC#N)n1
InChIInChI=1S/C9H11N3/c1-8-4-2-5-9(12-8)11-7-3-6-10/h2,4-5H,3,7H2,1H3,(H,11,12)
InChIKeyKHTHIXLFJVCLNL-UHFFFAOYSA-N
XLogP1.72
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(6-methyl-2-pyridinyl)amino]propanenitrile 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-Amino-6-methylpyridine
CID 15765
N-2-Pyridylaniline
CID 81130
2-Pyridinamine, N-methyl-
CID 20727
2-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
N-(6-Methyl-2-pyridinyl)-N'-phenylurea
CID 306458
N1,N1-Dimethyl-N2-2-pyridinyl-1,2-ethanediamine
CID 90273
(E)-4-Methyl-6-(prop-1-enyl)pyridin-2-amine
CID 42625452
(4-Dimethylamino-benzyl)-(6-methyl-pyridin-2-yl)-amine
CID 975714
6-Amino-2,3-dimethylpyridine
CID 262484
2-Amino-6-(trifluoromethyl)pyridine
CID 821024
2-Acetamido-6-methylpyridine
CID 220486
N-Cyclohexylpyridin-2-amine
CID 84957

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-2-pyridinyl)amino]propanenitrile?
The IUPAC name of 3-[(6-methyl-2-pyridinyl)amino]propanenitrile (CID 130918867) is 3-[(6-methyl-2-pyridinyl)amino]propanenitrile.
What is the SMILES notation for 3-[(6-methyl-2-pyridinyl)amino]propanenitrile?
The canonical SMILES for 3-[(6-methyl-2-pyridinyl)amino]propanenitrile is Cc1cccc(NCCC#N)n1.
What is the InChIKey of 3-[(6-methyl-2-pyridinyl)amino]propanenitrile?
The InChIKey is KHTHIXLFJVCLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-8-4-2-5-9(12-8)11-7-3-6-10/h2,4-5H,3,7H2,1H3,(H,11,12).
What are the key properties of 3-[(6-methyl-2-pyridinyl)amino]propanenitrile?
3-[(6-methyl-2-pyridinyl)amino]propanenitrile has a molecular weight of 161.21 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-2-pyridinyl)amino]propanenitrile is sourced from PubChem (CID 130918867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).