2-(3-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carbonitrile

C13H17N3O — CID 79464580

IUPAC2-(3-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(OC2CCC(N)C2)n1
InChIInChI=1S/C13H17N3O/c1-8-5-9(2)16-13(12(8)7-14)17-11-4-3-10(15)6-11/h5,10-11H,3-4,6,15H2,1-2H3
InChIKeyVDYGKSVVPQESNW-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.83
Rot. Bonds2

About 2-(3-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carbonitrile

2-(3-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 79464580) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(3-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carbonitrile
PubChem CID79464580
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(3-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(OC2CCC(N)C2)n1
InChIInChI=1S/C13H17N3O/c1-8-5-9(2)16-13(12(8)7-14)17-11-4-3-10(15)6-11/h5,10-11H,3-4,6,15H2,1-2H3
InChIKeyVDYGKSVVPQESNW-UHFFFAOYSA-N
XLogP1.83
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(3-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carbonitrile (CID 79464580) is 2-(3-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(3-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(OC2CCC(N)C2)n1.
What is the InChIKey of 2-(3-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is VDYGKSVVPQESNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8-5-9(2)16-13(12(8)7-14)17-11-4-3-10(15)6-11/h5,10-11H,3-4,6,15H2,1-2H3.
What are the key properties of 2-(3-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carbonitrile?
2-(3-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminocyclopentyl)oxy-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 79464580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).