2-(2-adamantyloxy)pyridine-3-carbonitrile

C16H18N2O — CID 117096420

IUPAC2-(2-adamantyloxy)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1OC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H18N2O/c17-9-12-2-1-3-18-16(12)19-15-13-5-10-4-11(7-13)8-14(15)6-10/h1-3,10-11,13-15H,4-8H2
InChIKeyQUFSOFPKXKITJW-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.16
Rot. Bonds2

About 2-(2-adamantyloxy)pyridine-3-carbonitrile

2-(2-adamantyloxy)pyridine-3-carbonitrile (PubChem CID 117096420) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(2-adamantyloxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-adamantyloxy)pyridine-3-carbonitrile
PubChem CID117096420
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-(2-adamantyloxy)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1OC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H18N2O/c17-9-12-2-1-3-18-16(12)19-15-13-5-10-4-11(7-13)8-14(15)6-10/h1-3,10-11,13-15H,4-8H2
InChIKeyQUFSOFPKXKITJW-UHFFFAOYSA-N
XLogP3.16
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-adamantyloxy)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantyloxy)pyridine-3-carbonitrile?
The IUPAC name of 2-(2-adamantyloxy)pyridine-3-carbonitrile (CID 117096420) is 2-(2-adamantyloxy)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-adamantyloxy)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-adamantyloxy)pyridine-3-carbonitrile is N#Cc1cccnc1OC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(2-adamantyloxy)pyridine-3-carbonitrile?
The InChIKey is QUFSOFPKXKITJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c17-9-12-2-1-3-18-16(12)19-15-13-5-10-4-11(7-13)8-14(15)6-10/h1-3,10-11,13-15H,4-8H2.
What are the key properties of 2-(2-adamantyloxy)pyridine-3-carbonitrile?
2-(2-adamantyloxy)pyridine-3-carbonitrile has a molecular weight of 254.33 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantyloxy)pyridine-3-carbonitrile is sourced from PubChem (CID 117096420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).