6-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile

C12H15N3O — CID 24704980

IUPAC6-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NC2CCC(O)CC2)nc1
InChIInChI=1S/C12H15N3O/c13-7-9-1-6-12(14-8-9)15-10-2-4-11(16)5-3-10/h1,6,8,10-11,16H,2-5H2,(H,14,15)
InChIKeyXGDBCHHIVWWAMR-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.67
Rot. Bonds2

About 6-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile

6-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile (PubChem CID 24704980) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile
PubChem CID24704980
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name6-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NC2CCC(O)CC2)nc1
InChIInChI=1S/C12H15N3O/c13-7-9-1-6-12(14-8-9)15-10-2-4-11(16)5-3-10/h1,6,8,10-11,16H,2-5H2,(H,14,15)
InChIKeyXGDBCHHIVWWAMR-UHFFFAOYSA-N
XLogP1.67
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-propylcyclohexyl)amino]pyridine-3-carbonitrile
CID 61371820
6-[(3-methylsulfanylcyclopentyl)amino]pyridine-3-carbonitrile
CID 103704177
4-[4-[[4-[(5-cyano-2-pyridinyl)amino]cyclohexyl]amino]phenyl]piperazine-1-carboxylic acid
CID 175995322
6-[[(1S,3R)-3-methylcyclohexyl]amino]pyridine-3-carbonitrile
CID 93287060
6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]pyridine-3-carbonitrile
CID 170765192
6-[[1-(2-ethylbutanoyl)piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 47054697
6-[[4-(6-oxopyridazin-1-yl)cyclohexyl]amino]pyridine-3-carbonitrile
CID 126934338
6-[(2-aminocyclopropyl)amino]pyridine-3-carbonitrile
CID 43598833
1-(5-cyano-2-pyridinyl)-3-cyclohexylurea
CID 55063233
6-[[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]amino]pyridine-3-carbonitrile
CID 126935035
tert-butyl (3R)-3-[(5-cyano-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 66884944
6-[(4-hydroxycyclohexyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103623850

Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile (CID 24704980) is 6-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile is N#Cc1ccc(NC2CCC(O)CC2)nc1.
What is the InChIKey of 6-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile?
The InChIKey is XGDBCHHIVWWAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-7-9-1-6-12(14-8-9)15-10-2-4-11(16)5-3-10/h1,6,8,10-11,16H,2-5H2,(H,14,15).
What are the key properties of 6-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile?
6-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile has a molecular weight of 217.27 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxycyclohexyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 24704980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).