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

C12H17N3O — CID 82942075

IUPAC3-(3-propoxypropylamino)pyridine-4-carbonitrile
SMILESCCCOCCCNc1cnccc1C#N
InChIInChI=1S/C12H17N3O/c1-2-7-16-8-3-5-15-12-10-14-6-4-11(12)9-13/h4,6,10,15H,2-3,5,7-8H2,1H3
InChIKeyXSSVRFUYJSJCLW-UHFFFAOYSA-N
MW219.29 g/mol
LogP2.18
Rot. Bonds7

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

3-(3-propoxypropylamino)pyridine-4-carbonitrile (PubChem CID 82942075) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-(3-propoxypropylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-(3-propoxypropylamino)pyridine-4-carbonitrile
PubChem CID82942075
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-(3-propoxypropylamino)pyridine-4-carbonitrile
SMILESCCCOCCCNc1cnccc1C#N
InChIInChI=1S/C12H17N3O/c1-2-7-16-8-3-5-15-12-10-14-6-4-11(12)9-13/h4,6,10,15H,2-3,5,7-8H2,1H3
InChIKeyXSSVRFUYJSJCLW-UHFFFAOYSA-N
XLogP2.18
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

3-[3-(2-methoxyethoxy)propylamino]pyridine-4-carbonitrile
CID 113337626
3-(4-propan-2-yloxybutylamino)pyridine-4-carbonitrile
CID 113381771
3-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile
CID 103888654
3-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile
CID 115883851
3-[2-(2-methoxyethylamino)ethylamino]pyridine-4-carbonitrile
CID 83030587
3-(3-propoxypropylamino)pyridine-4-carbothioamide
CID 82940958
2-(3-propoxypropylamino)pyridine-3-carbonitrile
CID 82941891
3-[2-(4-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile
CID 114287626
4-bromo-2-(3-butoxypropylamino)benzonitrile
CID 114902214
3-[(2-ethoxy-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 114942452
3-(2-hydroxypentylamino)pyridine-4-carbonitrile
CID 115883782
4-amino-3-(3-propoxypropylamino)benzonitrile
CID 113444258

Frequently Asked Questions

What is the IUPAC name of 3-(3-propoxypropylamino)pyridine-4-carbonitrile?
The IUPAC name of 3-(3-propoxypropylamino)pyridine-4-carbonitrile (CID 82942075) is 3-(3-propoxypropylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 3-(3-propoxypropylamino)pyridine-4-carbonitrile?
The canonical SMILES for 3-(3-propoxypropylamino)pyridine-4-carbonitrile is CCCOCCCNc1cnccc1C#N.
What is the InChIKey of 3-(3-propoxypropylamino)pyridine-4-carbonitrile?
The InChIKey is XSSVRFUYJSJCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-7-16-8-3-5-15-12-10-14-6-4-11(12)9-13/h4,6,10,15H,2-3,5,7-8H2,1H3.
What are the key properties of 3-(3-propoxypropylamino)pyridine-4-carbonitrile?
3-(3-propoxypropylamino)pyridine-4-carbonitrile has a molecular weight of 219.29 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propoxypropylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 82942075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).