3-amino-2-[(2-methylcycloheptyl)amino]pyridine-4-carbonitrile

C14H20N4 — CID 82813370

IUPAC3-amino-2-[(2-methylcycloheptyl)amino]pyridine-4-carbonitrile
SMILESCC1CCCCCC1Nc1nccc(C#N)c1N
InChIInChI=1S/C14H20N4/c1-10-5-3-2-4-6-12(10)18-14-13(16)11(9-15)7-8-17-14/h7-8,10,12H,2-6,16H2,1H3,(H,17,18)
InChIKeyOZIMSZUGEJOSNE-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.92
Rot. Bonds2

About 3-amino-2-[(2-methylcycloheptyl)amino]pyridine-4-carbonitrile

3-amino-2-[(2-methylcycloheptyl)amino]pyridine-4-carbonitrile (PubChem CID 82813370) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-amino-2-[(2-methylcycloheptyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[(2-methylcycloheptyl)amino]pyridine-4-carbonitrile
PubChem CID82813370
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name3-amino-2-[(2-methylcycloheptyl)amino]pyridine-4-carbonitrile
SMILESCC1CCCCCC1Nc1nccc(C#N)c1N
InChIInChI=1S/C14H20N4/c1-10-5-3-2-4-6-12(10)18-14-13(16)11(9-15)7-8-17-14/h7-8,10,12H,2-6,16H2,1H3,(H,17,18)
InChIKeyOZIMSZUGEJOSNE-UHFFFAOYSA-N
XLogP2.92
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-[(2-methylcycloheptyl)amino]pyridine-4-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 3-amino-2-[(2-methylcycloheptyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[(2-methylcycloheptyl)amino]pyridine-4-carbonitrile (CID 82813370) is 3-amino-2-[(2-methylcycloheptyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[(2-methylcycloheptyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[(2-methylcycloheptyl)amino]pyridine-4-carbonitrile is CC1CCCCCC1Nc1nccc(C#N)c1N.
What is the InChIKey of 3-amino-2-[(2-methylcycloheptyl)amino]pyridine-4-carbonitrile?
The InChIKey is OZIMSZUGEJOSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-10-5-3-2-4-6-12(10)18-14-13(16)11(9-15)7-8-17-14/h7-8,10,12H,2-6,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-2-[(2-methylcycloheptyl)amino]pyridine-4-carbonitrile?
3-amino-2-[(2-methylcycloheptyl)amino]pyridine-4-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(2-methylcycloheptyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 82813370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).