4-(3-ethoxypropylamino)-2,6-dimethylpyridine-3-carbonitrile

C13H19N3O — CID 81061309

IUPAC4-(3-ethoxypropylamino)-2,6-dimethylpyridine-3-carbonitrile
SMILESCCOCCCNc1cc(C)nc(C)c1C#N
InChIInChI=1S/C13H19N3O/c1-4-17-7-5-6-15-13-8-10(2)16-11(3)12(13)9-14/h8H,4-7H2,1-3H3,(H,15,16)
InChIKeyGVUMYKHVNUNGAT-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.41
Rot. Bonds6

About 4-(3-ethoxypropylamino)-2,6-dimethylpyridine-3-carbonitrile

4-(3-ethoxypropylamino)-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81061309) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(3-ethoxypropylamino)-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-ethoxypropylamino)-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81061309
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-(3-ethoxypropylamino)-2,6-dimethylpyridine-3-carbonitrile
SMILESCCOCCCNc1cc(C)nc(C)c1C#N
InChIInChI=1S/C13H19N3O/c1-4-17-7-5-6-15-13-8-10(2)16-11(3)12(13)9-14/h8H,4-7H2,1-3H3,(H,15,16)
InChIKeyGVUMYKHVNUNGAT-UHFFFAOYSA-N
XLogP2.41
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(furan-2-ylmethoxy)propylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 133395706
4-[3-(cyclopropylamino)propylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81052089
2,6-dimethyl-4-(3-methylbutylamino)pyridine-3-carbonitrile
CID 81042476
methyl 3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]propanoate
CID 81061329
3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]-N,N-diethylpropanamide
CID 81051927
3-(3-ethoxypropylamino)benzene-1,2-dicarbonitrile
CID 58445511
2,6-dimethyl-4-(2-pyridin-4-ylethylamino)pyridine-3-carbonitrile
CID 81060354
4-[2-(azepan-1-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81043474
4-[(2-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81042969
4-(2,2-difluoroethylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 115282671
4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 133433965
4-[(1-ethylpiperidin-4-yl)methylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060937

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxypropylamino)-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-(3-ethoxypropylamino)-2,6-dimethylpyridine-3-carbonitrile (CID 81061309) is 4-(3-ethoxypropylamino)-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-ethoxypropylamino)-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-(3-ethoxypropylamino)-2,6-dimethylpyridine-3-carbonitrile is CCOCCCNc1cc(C)nc(C)c1C#N.
What is the InChIKey of 4-(3-ethoxypropylamino)-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is GVUMYKHVNUNGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-4-17-7-5-6-15-13-8-10(2)16-11(3)12(13)9-14/h8H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 4-(3-ethoxypropylamino)-2,6-dimethylpyridine-3-carbonitrile?
4-(3-ethoxypropylamino)-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 233.31 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxypropylamino)-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81061309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).