6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile

C11H15N3O — CID 62348286

IUPAC6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile
SMILESCC(C)NCCOc1ccc(C#N)cn1
InChIInChI=1S/C11H15N3O/c1-9(2)13-5-6-15-11-4-3-10(7-12)8-14-11/h3-4,8-9,13H,5-6H2,1-2H3
InChIKeyGXGABNGDVNEOFN-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.33
Rot. Bonds5

About 6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile

6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile (PubChem CID 62348286) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile
PubChem CID62348286
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile
SMILESCC(C)NCCOc1ccc(C#N)cn1
InChIInChI=1S/C11H15N3O/c1-9(2)13-5-6-15-11-4-3-10(7-12)8-14-11/h3-4,8-9,13H,5-6H2,1-2H3
InChIKeyGXGABNGDVNEOFN-UHFFFAOYSA-N
XLogP1.33
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.33
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

6-[2-(methylamino)ethoxy]pyridine-3-carbonitrile
CID 62349619
2-[2-(propan-2-ylamino)ethoxy]pyridine-4-carbonitrile
CID 62348007
4-methyl-3-[2-(propan-2-ylamino)ethoxy]benzonitrile
CID 107658267
3-methyl-4-[2-(propan-2-ylamino)ethoxy]benzonitrile
CID 62347454
6-(2-ethoxyethoxy)pyridine-3-carbonitrile
CID 22939609
6-(1-chloroethoxy)pyridine-3-carbonitrile
CID 143861415
4-[2-(propan-2-ylamino)ethoxy]-3-(trifluoromethyl)benzonitrile
CID 115468047
6-[5-(4-cyanophenoxy)pentoxy]pyridine-3-carbonitrile
CID 150538263
3-methyl-4-[3-(propan-2-ylamino)propoxy]benzonitrile
CID 55065593
6-(2-pyrrolidin-1-ylethoxy)pyridine-3-carbonitrile
CID 55137110
3-fluoro-4-[3-(propan-2-ylamino)propoxy]benzonitrile
CID 62348292
6-(4,4,4-trifluorobutoxy)pyridine-3-carbonitrile
CID 82788068

Frequently Asked Questions

What is the IUPAC name of 6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile (CID 62348286) is 6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile is CC(C)NCCOc1ccc(C#N)cn1.
What is the InChIKey of 6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile?
The InChIKey is GXGABNGDVNEOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-9(2)13-5-6-15-11-4-3-10(7-12)8-14-11/h3-4,8-9,13H,5-6H2,1-2H3.
What are the key properties of 6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile?
6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile has a molecular weight of 205.26 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(propan-2-ylamino)ethoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 62348286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).