4-[3-(furan-2-ylmethoxy)propylamino]-2,6-dimethylpyridine-3-carbonitrile

C16H19N3O2 — CID 133395706

IUPAC4-[3-(furan-2-ylmethoxy)propylamino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NCCCOCc2ccco2)c(C#N)c(C)n1
InChIInChI=1S/C16H19N3O2/c1-12-9-16(15(10-17)13(2)19-12)18-6-4-7-20-11-14-5-3-8-21-14/h3,5,8-9H,4,6-7,11H2,1-2H3,(H,18,19)
InChIKeyKHEHURJEHIVIKP-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.18
Rot. Bonds7

About 4-[3-(furan-2-ylmethoxy)propylamino]-2,6-dimethylpyridine-3-carbonitrile

4-[3-(furan-2-ylmethoxy)propylamino]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 133395706) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-[3-(furan-2-ylmethoxy)propylamino]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[3-(furan-2-ylmethoxy)propylamino]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID133395706
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-[3-(furan-2-ylmethoxy)propylamino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NCCCOCc2ccco2)c(C#N)c(C)n1
InChIInChI=1S/C16H19N3O2/c1-12-9-16(15(10-17)13(2)19-12)18-6-4-7-20-11-14-5-3-8-21-14/h3,5,8-9H,4,6-7,11H2,1-2H3,(H,18,19)
InChIKeyKHEHURJEHIVIKP-UHFFFAOYSA-N
XLogP3.18
TPSA71.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3-ethoxypropylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 81061309
2,6-dimethyl-4-(2-thiophen-2-ylethylamino)pyridine-3-carbonitrile
CID 81042656
2,6-dimethyl-4-(3-methylbutylamino)pyridine-3-carbonitrile
CID 81042476
2,6-dimethyl-4-[(3-methylphenyl)methylamino]pyridine-3-carbonitrile
CID 81060441
1-[(3-cyanophenyl)methyl]-3-[3-(furan-2-ylmethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111398760
3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine
CID 62565573
2-(furan-2-ylmethoxy)-6-methylpyridine-4-carbonitrile
CID 114766756
2,6-dimethyl-4-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]pyridine-3-carbonitrile
CID 133396583
7-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-2-methylquinoline-4-carboxamide
CID 86930224
4-[(2-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81042969
4-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 133433965
4-[2-(2,4-dichlorophenyl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81061197

Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-ylmethoxy)propylamino]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[3-(furan-2-ylmethoxy)propylamino]-2,6-dimethylpyridine-3-carbonitrile (CID 133395706) is 4-[3-(furan-2-ylmethoxy)propylamino]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[3-(furan-2-ylmethoxy)propylamino]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[3-(furan-2-ylmethoxy)propylamino]-2,6-dimethylpyridine-3-carbonitrile is Cc1cc(NCCCOCc2ccco2)c(C#N)c(C)n1.
What is the InChIKey of 4-[3-(furan-2-ylmethoxy)propylamino]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is KHEHURJEHIVIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-9-16(15(10-17)13(2)19-12)18-6-4-7-20-11-14-5-3-8-21-14/h3,5,8-9H,4,6-7,11H2,1-2H3,(H,18,19).
What are the key properties of 4-[3-(furan-2-ylmethoxy)propylamino]-2,6-dimethylpyridine-3-carbonitrile?
4-[3-(furan-2-ylmethoxy)propylamino]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 285.35 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-2-ylmethoxy)propylamino]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 133395706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).