6-[(2-hydroxycyclohexyl)amino]-2-methylpyridine-3-carbonitrile

C13H17N3O — CID 136544292

IUPAC6-[(2-hydroxycyclohexyl)amino]-2-methylpyridine-3-carbonitrile
SMILESCc1nc(NC2CCCCC2O)ccc1C#N
InChIInChI=1S/C13H17N3O/c1-9-10(8-14)6-7-13(15-9)16-11-4-2-3-5-12(11)17/h6-7,11-12,17H,2-5H2,1H3,(H,15,16)
InChIKeyPPXYDVHGNPJHOI-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.98
Rot. Bonds2

About 6-[(2-hydroxycyclohexyl)amino]-2-methylpyridine-3-carbonitrile

6-[(2-hydroxycyclohexyl)amino]-2-methylpyridine-3-carbonitrile (PubChem CID 136544292) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 6-[(2-hydroxycyclohexyl)amino]-2-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(2-hydroxycyclohexyl)amino]-2-methylpyridine-3-carbonitrile
PubChem CID136544292
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name6-[(2-hydroxycyclohexyl)amino]-2-methylpyridine-3-carbonitrile
SMILESCc1nc(NC2CCCCC2O)ccc1C#N
InChIInChI=1S/C13H17N3O/c1-9-10(8-14)6-7-13(15-9)16-11-4-2-3-5-12(11)17/h6-7,11-12,17H,2-5H2,1H3,(H,15,16)
InChIKeyPPXYDVHGNPJHOI-UHFFFAOYSA-N
XLogP1.98
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-6-[[(1S,2S)-2-hydroxycyclohexyl]amino]pyridine-2-carbonitrile
CID 133495324
2-[(2-hydroxycycloheptyl)amino]-6-methylpyridine-4-carbonitrile
CID 114769770
6-[[(1S,2R,3R)-3-hydroxy-2-(4-methylpyrazol-1-yl)cyclobutyl]amino]-2-methylpyridine-3-carbonitrile
CID 154761531
2-[(5,6-dimethylpyrazin-2-yl)amino]cyclohexan-1-ol
CID 114475697
2-[[(1R,2R)-2-hydroxycyclopentyl]amino]quinoline-4-carbonitrile
CID 99857872
2-[(5,6-diamino-2-pyridinyl)amino]cyclohexan-1-ol
CID 79827031
trans-(1R,2R)-2-[(5-bromo-6-methyl-2-pyridinyl)amino]cyclobutan-1-ol
CID 130736526
2-chloro-4-[(2-hydroxycyclohexyl)amino]benzonitrile
CID 60883762
4-bromo-2-[(2-hydroxycyclohexyl)amino]benzonitrile
CID 114905279
6-(tert-butylamino)-2-methylpyridine-3-carbonitrile
CID 102546520
2-[(2-hydroxycyclohexyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107552012
6-(ethylamino)-2-methylpyridine-3-carbonitrile
CID 126981851

Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxycyclohexyl)amino]-2-methylpyridine-3-carbonitrile?
The IUPAC name of 6-[(2-hydroxycyclohexyl)amino]-2-methylpyridine-3-carbonitrile (CID 136544292) is 6-[(2-hydroxycyclohexyl)amino]-2-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[(2-hydroxycyclohexyl)amino]-2-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-[(2-hydroxycyclohexyl)amino]-2-methylpyridine-3-carbonitrile is Cc1nc(NC2CCCCC2O)ccc1C#N.
What is the InChIKey of 6-[(2-hydroxycyclohexyl)amino]-2-methylpyridine-3-carbonitrile?
The InChIKey is PPXYDVHGNPJHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-10(8-14)6-7-13(15-9)16-11-4-2-3-5-12(11)17/h6-7,11-12,17H,2-5H2,1H3,(H,15,16).
What are the key properties of 6-[(2-hydroxycyclohexyl)amino]-2-methylpyridine-3-carbonitrile?
6-[(2-hydroxycyclohexyl)amino]-2-methylpyridine-3-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxycyclohexyl)amino]-2-methylpyridine-3-carbonitrile is sourced from PubChem (CID 136544292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).