2-(pyridin-2-ylmethyl)-2-azabicyclo[3.1.1]heptane-1-carbonitrile

C13H15N3 — CID 52933322

IUPAC2-(pyridin-2-ylmethyl)-2-azabicyclo[3.1.1]heptane-1-carbonitrile
SMILESN#CC12CC(CCN1Cc1ccccn1)C2
InChIInChI=1S/C13H15N3/c14-10-13-7-11(8-13)4-6-16(13)9-12-3-1-2-5-15-12/h1-3,5,11H,4,6-9H2
InChIKeyYGCGYDLZMOEFEX-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.96
Rot. Bonds2

About 2-(pyridin-2-ylmethyl)-2-azabicyclo[3.1.1]heptane-1-carbonitrile

2-(pyridin-2-ylmethyl)-2-azabicyclo[3.1.1]heptane-1-carbonitrile (PubChem CID 52933322) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethyl)-2-azabicyclo[3.1.1]heptane-1-carbonitrile.

Molecular Properties

Compound Name2-(pyridin-2-ylmethyl)-2-azabicyclo[3.1.1]heptane-1-carbonitrile
PubChem CID52933322
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-(pyridin-2-ylmethyl)-2-azabicyclo[3.1.1]heptane-1-carbonitrile
SMILESN#CC12CC(CCN1Cc1ccccn1)C2
InChIInChI=1S/C13H15N3/c14-10-13-7-11(8-13)4-6-16(13)9-12-3-1-2-5-15-12/h1-3,5,11H,4,6-9H2
InChIKeyYGCGYDLZMOEFEX-UHFFFAOYSA-N
XLogP1.96
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(pyridin-2-ylmethyl)-2-azabicyclo[3.1.1]heptane-1-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

1-(pyridin-2-ylmethyl)piperidine-4,4-dicarbonitrile
CID 117007901
[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]methanamine
CID 117020604
[2,2-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol
CID 117017714
1-[2,2-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 117020753
(4aR,8aR,9aR,10aS)-10-(pyridin-2-ylmethyl)-2,3,4,5,6,7,8,8a,9,9a-decahydro-1H-acridine-4a,10a-dicarbonitrile
CID 7093422
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
2-[3,3-dimethyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]acetonitrile
CID 117024733
2-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonitrile
CID 117022412
CID 59694740
CID 59694740
2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride
CID 138112738
2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 131703770
2-(1-adamantylmethyl)pyridine
CID 584969

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethyl)-2-azabicyclo[3.1.1]heptane-1-carbonitrile?
The IUPAC name of 2-(pyridin-2-ylmethyl)-2-azabicyclo[3.1.1]heptane-1-carbonitrile (CID 52933322) is 2-(pyridin-2-ylmethyl)-2-azabicyclo[3.1.1]heptane-1-carbonitrile.
What is the SMILES notation for 2-(pyridin-2-ylmethyl)-2-azabicyclo[3.1.1]heptane-1-carbonitrile?
The canonical SMILES for 2-(pyridin-2-ylmethyl)-2-azabicyclo[3.1.1]heptane-1-carbonitrile is N#CC12CC(CCN1Cc1ccccn1)C2.
What is the InChIKey of 2-(pyridin-2-ylmethyl)-2-azabicyclo[3.1.1]heptane-1-carbonitrile?
The InChIKey is YGCGYDLZMOEFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c14-10-13-7-11(8-13)4-6-16(13)9-12-3-1-2-5-15-12/h1-3,5,11H,4,6-9H2.
What are the key properties of 2-(pyridin-2-ylmethyl)-2-azabicyclo[3.1.1]heptane-1-carbonitrile?
2-(pyridin-2-ylmethyl)-2-azabicyclo[3.1.1]heptane-1-carbonitrile has a molecular weight of 213.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethyl)-2-azabicyclo[3.1.1]heptane-1-carbonitrile is sourced from PubChem (CID 52933322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).