2-[2-(propan-2-ylamino)ethoxy]pyridine-4-carbonitrile

C11H15N3O — CID 62348007

IUPAC2-[2-(propan-2-ylamino)ethoxy]pyridine-4-carbonitrile
SMILESCC(C)NCCOc1cc(C#N)ccn1
InChIInChI=1S/C11H15N3O/c1-9(2)13-5-6-15-11-7-10(8-12)3-4-14-11/h3-4,7,9,13H,5-6H2,1-2H3
InChIKeyRPELJWAEKAAMEA-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.33
Rot. Bonds5

About 2-[2-(propan-2-ylamino)ethoxy]pyridine-4-carbonitrile

2-[2-(propan-2-ylamino)ethoxy]pyridine-4-carbonitrile (PubChem CID 62348007) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[2-(propan-2-ylamino)ethoxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(propan-2-ylamino)ethoxy]pyridine-4-carbonitrile
PubChem CID62348007
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-[2-(propan-2-ylamino)ethoxy]pyridine-4-carbonitrile
SMILESCC(C)NCCOc1cc(C#N)ccn1
InChIInChI=1S/C11H15N3O/c1-9(2)13-5-6-15-11-7-10(8-12)3-4-14-11/h3-4,7,9,13H,5-6H2,1-2H3
InChIKeyRPELJWAEKAAMEA-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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(propan-2-ylamino)ethoxy]pyridine-4-carbonitrile?
The IUPAC name of 2-[2-(propan-2-ylamino)ethoxy]pyridine-4-carbonitrile (CID 62348007) is 2-[2-(propan-2-ylamino)ethoxy]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[2-(propan-2-ylamino)ethoxy]pyridine-4-carbonitrile?
The canonical SMILES for 2-[2-(propan-2-ylamino)ethoxy]pyridine-4-carbonitrile is CC(C)NCCOc1cc(C#N)ccn1.
What is the InChIKey of 2-[2-(propan-2-ylamino)ethoxy]pyridine-4-carbonitrile?
The InChIKey is RPELJWAEKAAMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-9(2)13-5-6-15-11-7-10(8-12)3-4-14-11/h3-4,7,9,13H,5-6H2,1-2H3.
What are the key properties of 2-[2-(propan-2-ylamino)ethoxy]pyridine-4-carbonitrile?
2-[2-(propan-2-ylamino)ethoxy]pyridine-4-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 2-[2-(propan-2-ylamino)ethoxy]pyridine-4-carbonitrile is sourced from PubChem (CID 62348007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).