4-methyl-2-(3-propoxypropylamino)pyridine-3-carbonitrile

C13H19N3O — CID 82941151

IUPAC4-methyl-2-(3-propoxypropylamino)pyridine-3-carbonitrile
SMILESCCCOCCCNc1nccc(C)c1C#N
InChIInChI=1S/C13H19N3O/c1-3-8-17-9-4-6-15-13-12(10-14)11(2)5-7-16-13/h5,7H,3-4,6,8-9H2,1-2H3,(H,15,16)
InChIKeyZDGUXHYCUPYIJU-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.49
Rot. Bonds7

About 4-methyl-2-(3-propoxypropylamino)pyridine-3-carbonitrile

4-methyl-2-(3-propoxypropylamino)pyridine-3-carbonitrile (PubChem CID 82941151) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-methyl-2-(3-propoxypropylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-(3-propoxypropylamino)pyridine-3-carbonitrile
PubChem CID82941151
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-methyl-2-(3-propoxypropylamino)pyridine-3-carbonitrile
SMILESCCCOCCCNc1nccc(C)c1C#N
InChIInChI=1S/C13H19N3O/c1-3-8-17-9-4-6-15-13-12(10-14)11(2)5-7-16-13/h5,7H,3-4,6,8-9H2,1-2H3,(H,15,16)
InChIKeyZDGUXHYCUPYIJU-UHFFFAOYSA-N
XLogP2.49
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-2-(3-propoxypropylamino)pyridine-3-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

2-[2-[2-(dimethylamino)ethoxy]ethylamino]-4-methylpyridine-3-carbonitrile
CID 104705443
2-(3-propoxypropylamino)pyridine-3-carbonitrile
CID 82941891
4-methyl-2-(4,4,4-trifluorobutylamino)pyridine-3-carbonitrile
CID 113327555
2-(4-hydroxypentylamino)-4-methylpyridine-3-carbonitrile
CID 107269156
4-methyl-2-(3-propoxypropylamino)pyridine-3-carboxylic acid
CID 82947512
4-methyl-2-(5-methylsulfanylpentylamino)pyridine-3-carbonitrile
CID 104925639
2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carbonitrile
CID 113412232
2-[2-(cycloheptylamino)ethylamino]-4-methylpyridine-3-carbonitrile
CID 115306682
4-methyl-2-[(1-propylcyclopropyl)methylamino]pyridine-3-carbonitrile
CID 113412330
2-(butylamino)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 102449546
4-methyl-2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 106328949
2-[(2-amino-2-ethylbutyl)amino]-4-methylpyridine-3-carbonitrile
CID 113283263

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-propoxypropylamino)pyridine-3-carbonitrile?
The IUPAC name of 4-methyl-2-(3-propoxypropylamino)pyridine-3-carbonitrile (CID 82941151) is 4-methyl-2-(3-propoxypropylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-2-(3-propoxypropylamino)pyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-2-(3-propoxypropylamino)pyridine-3-carbonitrile is CCCOCCCNc1nccc(C)c1C#N.
What is the InChIKey of 4-methyl-2-(3-propoxypropylamino)pyridine-3-carbonitrile?
The InChIKey is ZDGUXHYCUPYIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-8-17-9-4-6-15-13-12(10-14)11(2)5-7-16-13/h5,7H,3-4,6,8-9H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-2-(3-propoxypropylamino)pyridine-3-carbonitrile?
4-methyl-2-(3-propoxypropylamino)pyridine-3-carbonitrile has a molecular weight of 233.31 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-propoxypropylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 82941151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).