3-[2-(4-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile

C15H21N3 — CID 114287626

IUPAC3-[2-(4-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile
SMILESCC1CCC(CCNc2cnccc2C#N)CC1
InChIInChI=1S/C15H21N3/c1-12-2-4-13(5-3-12)6-9-18-15-11-17-8-7-14(15)10-16/h7-8,11-13,18H,2-6,9H2,1H3
InChIKeyAYYXQRAVYKOKND-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.58
Rot. Bonds4

About 3-[2-(4-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile

3-[2-(4-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile (PubChem CID 114287626) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[2-(4-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-(4-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile
PubChem CID114287626
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-[2-(4-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile
SMILESCC1CCC(CCNc2cnccc2C#N)CC1
InChIInChI=1S/C15H21N3/c1-12-2-4-13(5-3-12)6-9-18-15-11-17-8-7-14(15)10-16/h7-8,11-13,18H,2-6,9H2,1H3
InChIKeyAYYXQRAVYKOKND-UHFFFAOYSA-N
XLogP3.58
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile
CID 103888654
3-chloro-N-[2-(4-methylcyclohexyl)ethyl]pyridin-4-amine
CID 79840811
3-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile
CID 113362602
3-(3-propoxypropylamino)pyridine-4-carbonitrile
CID 82942075
3-[(4-methylcycloheptyl)amino]pyridine-4-carbonitrile
CID 102809585
3-[(2-methylcyclopentyl)methylamino]pyridine-4-carbonitrile
CID 107418667
3-(2-cyclopropylpropylamino)pyridine-4-carbonitrile
CID 115883746
3-[3-(2-methoxyethoxy)propylamino]pyridine-4-carbonitrile
CID 113337626
3-[2-(1-methylpyrazol-4-yl)ethylamino]pyridine-4-carbonitrile
CID 114287753
3-[(3-hydroxy-2,2-dimethylpropyl)amino]pyridine-4-carbonitrile
CID 115360433
3-[2-(2-methoxyethylamino)ethylamino]pyridine-4-carbonitrile
CID 83030587
3-[(2-ethoxy-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 114942452

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile?
The IUPAC name of 3-[2-(4-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile (CID 114287626) is 3-[2-(4-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[2-(4-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile?
The canonical SMILES for 3-[2-(4-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile is CC1CCC(CCNc2cnccc2C#N)CC1.
What is the InChIKey of 3-[2-(4-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile?
The InChIKey is AYYXQRAVYKOKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-12-2-4-13(5-3-12)6-9-18-15-11-17-8-7-14(15)10-16/h7-8,11-13,18H,2-6,9H2,1H3.
What are the key properties of 3-[2-(4-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile?
3-[2-(4-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile has a molecular weight of 243.35 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylcyclohexyl)ethylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 114287626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).