2-[[(1R,3R)-3-(dimethylamino)cyclohexyl]amino]pyridine-4-carbonitrile

C14H20N4 — CID 125142314

IUPAC2-[[(1R,3R)-3-(dimethylamino)cyclohexyl]amino]pyridine-4-carbonitrile
SMILESCN(C)[C@@H]1CCC[C@@H](Nc2cc(C#N)ccn2)C1
InChIInChI=1S/C14H20N4/c1-18(2)13-5-3-4-12(9-13)17-14-8-11(10-15)6-7-16-14/h6-8,12-13H,3-5,9H2,1-2H3,(H,16,17)/t12-,13-/m1/s1
InChIKeyWSFGWWCASQFROQ-CHWSQXEVSA-N
MW244.34 g/mol
LogP2.24
Rot. Bonds3

About 2-[[(1R,3R)-3-(dimethylamino)cyclohexyl]amino]pyridine-4-carbonitrile

2-[[(1R,3R)-3-(dimethylamino)cyclohexyl]amino]pyridine-4-carbonitrile (PubChem CID 125142314) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[[(1R,3R)-3-(dimethylamino)cyclohexyl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[(1R,3R)-3-(dimethylamino)cyclohexyl]amino]pyridine-4-carbonitrile
PubChem CID125142314
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-[[(1R,3R)-3-(dimethylamino)cyclohexyl]amino]pyridine-4-carbonitrile
SMILESCN(C)[C@@H]1CCC[C@@H](Nc2cc(C#N)ccn2)C1
InChIInChI=1S/C14H20N4/c1-18(2)13-5-3-4-12(9-13)17-14-8-11(10-15)6-7-16-14/h6-8,12-13H,3-5,9H2,1-2H3,(H,16,17)/t12-,13-/m1/s1
InChIKeyWSFGWWCASQFROQ-CHWSQXEVSA-N
XLogP2.24
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]pyridine-4-carbonitrile
CID 65472964
2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile;hydrochloride
CID 71643662
3-N-(6-ethyl-2-methylpyrimidin-4-yl)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 133461679
2-[(2-aminocyclopropyl)amino]pyridine-4-carbonitrile
CID 43598882
2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-4-carbonitrile
CID 62306308
trans-(1S,3S)-1-N,1-N-dimethyl-3-N-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)cyclohexane-1,3-diamine
CID 124880293
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridine-4-carbonitrile
CID 61231862
3-cyano-4-[[(1R,3R)-3-(dimethylamino)cyclohexyl]amino]benzenesulfonamide
CID 99814121
2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]pyridine-4-carbonitrile
CID 114119313
6-[[(1S,3R)-3-methylcyclohexyl]amino]pyridine-3-carbonitrile
CID 93287060
2-[4-[(4-cyano-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 60726886
2-[[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]amino]pyridine-4-carbonitrile
CID 91834936

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,3R)-3-(dimethylamino)cyclohexyl]amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[[(1R,3R)-3-(dimethylamino)cyclohexyl]amino]pyridine-4-carbonitrile (CID 125142314) is 2-[[(1R,3R)-3-(dimethylamino)cyclohexyl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[(1R,3R)-3-(dimethylamino)cyclohexyl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[(1R,3R)-3-(dimethylamino)cyclohexyl]amino]pyridine-4-carbonitrile is CN(C)[C@@H]1CCC[C@@H](Nc2cc(C#N)ccn2)C1.
What is the InChIKey of 2-[[(1R,3R)-3-(dimethylamino)cyclohexyl]amino]pyridine-4-carbonitrile?
The InChIKey is WSFGWWCASQFROQ-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H20N4/c1-18(2)13-5-3-4-12(9-13)17-14-8-11(10-15)6-7-16-14/h6-8,12-13H,3-5,9H2,1-2H3,(H,16,17)/t12-,13-/m1/s1.
What are the key properties of 2-[[(1R,3R)-3-(dimethylamino)cyclohexyl]amino]pyridine-4-carbonitrile?
2-[[(1R,3R)-3-(dimethylamino)cyclohexyl]amino]pyridine-4-carbonitrile has a molecular weight of 244.34 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,3R)-3-(dimethylamino)cyclohexyl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 125142314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).