2-chloro-6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-4-carbonitrile

C14H18ClN3O — CID 83076666

IUPAC2-chloro-6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-4-carbonitrile
SMILESCC1CCCC(CO)(Nc2cc(C#N)cc(Cl)n2)C1
InChIInChI=1S/C14H18ClN3O/c1-10-3-2-4-14(7-10,9-19)18-13-6-11(8-16)5-12(15)17-13/h5-6,10,19H,2-4,7,9H2,1H3,(H,17,18)
InChIKeyZTPNSEDHLXQBRL-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.96
Rot. Bonds3

About 2-chloro-6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-4-carbonitrile

2-chloro-6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-4-carbonitrile (PubChem CID 83076666) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-chloro-6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-4-carbonitrile
PubChem CID83076666
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-chloro-6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-4-carbonitrile
SMILESCC1CCCC(CO)(Nc2cc(C#N)cc(Cl)n2)C1
InChIInChI=1S/C14H18ClN3O/c1-10-3-2-4-14(7-10,9-19)18-13-6-11(8-16)5-12(15)17-13/h5-6,10,19H,2-4,7,9H2,1H3,(H,17,18)
InChIKeyZTPNSEDHLXQBRL-UHFFFAOYSA-N
XLogP2.96
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[1-[(6-chloropyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
CID 62553573
2-chloro-4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]benzonitrile
CID 62945046
[1-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]-3-methylcyclohexyl]methanol
CID 80958535
2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-6-methylpyridine-3-carbonitrile
CID 62526707
[1-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
CID 80957977
3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-4-nitrobenzonitrile
CID 104713642
[1-[(6-amino-2-ethylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
CID 80934546
[1-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-3-methylcyclohexyl]methanol
CID 80957901
[1-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]-3-methylcyclohexyl]methanol
CID 102918762
2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-3-methylbenzonitrile
CID 107111129
[1-[(6-methoxy-2-pyridinyl)amino]-3-methylcyclohexyl]methanol
CID 63589171
2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetonitrile
CID 62553552

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-4-carbonitrile (CID 83076666) is 2-chloro-6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-4-carbonitrile is CC1CCCC(CO)(Nc2cc(C#N)cc(Cl)n2)C1.
What is the InChIKey of 2-chloro-6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-4-carbonitrile?
The InChIKey is ZTPNSEDHLXQBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-10-3-2-4-14(7-10,9-19)18-13-6-11(8-16)5-12(15)17-13/h5-6,10,19H,2-4,7,9H2,1H3,(H,17,18).
What are the key properties of 2-chloro-6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-4-carbonitrile?
2-chloro-6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-4-carbonitrile has a molecular weight of 279.77 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-4-carbonitrile is sourced from PubChem (CID 83076666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).