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

C14H19N3 — CID 102809585

IUPAC3-[(4-methylcycloheptyl)amino]pyridine-4-carbonitrile
SMILESCC1CCCC(Nc2cnccc2C#N)CC1
InChIInChI=1S/C14H19N3/c1-11-3-2-4-13(6-5-11)17-14-10-16-8-7-12(14)9-15/h7-8,10-11,13,17H,2-6H2,1H3
InChIKeyLPKDQPRUYJKJHM-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.33
Rot. Bonds2

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

3-[(4-methylcycloheptyl)amino]pyridine-4-carbonitrile (PubChem CID 102809585) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-[(4-methylcycloheptyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[(4-methylcycloheptyl)amino]pyridine-4-carbonitrile
PubChem CID102809585
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-[(4-methylcycloheptyl)amino]pyridine-4-carbonitrile
SMILESCC1CCCC(Nc2cnccc2C#N)CC1
InChIInChI=1S/C14H19N3/c1-11-3-2-4-13(6-5-11)17-14-10-16-8-7-12(14)9-15/h7-8,10-11,13,17H,2-6H2,1H3
InChIKeyLPKDQPRUYJKJHM-UHFFFAOYSA-N
XLogP3.33
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylcycloheptyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-[(4-methylcycloheptyl)amino]pyridine-4-carbonitrile (CID 102809585) is 3-[(4-methylcycloheptyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[(4-methylcycloheptyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-[(4-methylcycloheptyl)amino]pyridine-4-carbonitrile is CC1CCCC(Nc2cnccc2C#N)CC1.
What is the InChIKey of 3-[(4-methylcycloheptyl)amino]pyridine-4-carbonitrile?
The InChIKey is LPKDQPRUYJKJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-3-2-4-13(6-5-11)17-14-10-16-8-7-12(14)9-15/h7-8,10-11,13,17H,2-6H2,1H3.
What are the key properties of 3-[(4-methylcycloheptyl)amino]pyridine-4-carbonitrile?
3-[(4-methylcycloheptyl)amino]pyridine-4-carbonitrile has a molecular weight of 229.33 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylcycloheptyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 102809585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).