2-(2-amino-2-ethylbutoxy)pyridine-4-carbonitrile

C12H17N3O — CID 64572339

IUPAC2-(2-amino-2-ethylbutoxy)pyridine-4-carbonitrile
SMILESCCC(N)(CC)COc1cc(C#N)ccn1
InChIInChI=1S/C12H17N3O/c1-3-12(14,4-2)9-16-11-7-10(8-13)5-6-15-11/h5-7H,3-4,9,14H2,1-2H3
InChIKeyFSWVOPCDYUJLNX-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.85
Rot. Bonds5

About 2-(2-amino-2-ethylbutoxy)pyridine-4-carbonitrile

2-(2-amino-2-ethylbutoxy)pyridine-4-carbonitrile (PubChem CID 64572339) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(2-amino-2-ethylbutoxy)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-amino-2-ethylbutoxy)pyridine-4-carbonitrile
PubChem CID64572339
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(2-amino-2-ethylbutoxy)pyridine-4-carbonitrile
SMILESCCC(N)(CC)COc1cc(C#N)ccn1
InChIInChI=1S/C12H17N3O/c1-3-12(14,4-2)9-16-11-7-10(8-13)5-6-15-11/h5-7H,3-4,9,14H2,1-2H3
InChIKeyFSWVOPCDYUJLNX-UHFFFAOYSA-N
XLogP1.85
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-ethylbutoxy)pyridine-4-carbonitrile?
The IUPAC name of 2-(2-amino-2-ethylbutoxy)pyridine-4-carbonitrile (CID 64572339) is 2-(2-amino-2-ethylbutoxy)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(2-amino-2-ethylbutoxy)pyridine-4-carbonitrile?
The canonical SMILES for 2-(2-amino-2-ethylbutoxy)pyridine-4-carbonitrile is CCC(N)(CC)COc1cc(C#N)ccn1.
What is the InChIKey of 2-(2-amino-2-ethylbutoxy)pyridine-4-carbonitrile?
The InChIKey is FSWVOPCDYUJLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-12(14,4-2)9-16-11-7-10(8-13)5-6-15-11/h5-7H,3-4,9,14H2,1-2H3.
What are the key properties of 2-(2-amino-2-ethylbutoxy)pyridine-4-carbonitrile?
2-(2-amino-2-ethylbutoxy)pyridine-4-carbonitrile has a molecular weight of 219.29 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-ethylbutoxy)pyridine-4-carbonitrile is sourced from PubChem (CID 64572339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).