2-[cyclohexyl(methyl)amino]-4-iodopyridine-3-carbonitrile

C13H16IN3 — CID 89498314

IUPAC2-[cyclohexyl(methyl)amino]-4-iodopyridine-3-carbonitrile
SMILESCN(c1nccc(I)c1C#N)C1CCCCC1
InChIInChI=1S/C13H16IN3/c1-17(10-5-3-2-4-6-10)13-11(9-15)12(14)7-8-16-13/h7-8,10H,2-6H2,1H3
InChIKeyMTEAJPOUPMXNCP-UHFFFAOYSA-N
MW341.20 g/mol
LogP3.33
Rot. Bonds2

About 2-[cyclohexyl(methyl)amino]-4-iodopyridine-3-carbonitrile

2-[cyclohexyl(methyl)amino]-4-iodopyridine-3-carbonitrile (PubChem CID 89498314) has the molecular formula C13H16IN3 and a molecular weight of 341.20 g/mol. Its IUPAC name is 2-[cyclohexyl(methyl)amino]-4-iodopyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[cyclohexyl(methyl)amino]-4-iodopyridine-3-carbonitrile
PubChem CID89498314
Molecular FormulaC13H16IN3
Molecular Weight341.20 g/mol
Exact Mass341.04
IUPAC Name2-[cyclohexyl(methyl)amino]-4-iodopyridine-3-carbonitrile
SMILESCN(c1nccc(I)c1C#N)C1CCCCC1
InChIInChI=1S/C13H16IN3/c1-17(10-5-3-2-4-6-10)13-11(9-15)12(14)7-8-16-13/h7-8,10H,2-6H2,1H3
InChIKeyMTEAJPOUPMXNCP-UHFFFAOYSA-N
XLogP3.33
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-[cycloheptyl(methyl)amino]pyrazine-2-carbonitrile
CID 62684696
4-[cyclohexyl(methyl)amino]pyridine-2-carbonitrile
CID 62491803
CID 88913114
CID 88913114
N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyridin-2-amine
CID 62285463
[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methanol
CID 61252621
2-[cycloheptyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966016
N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]pyrimidin-2-amine
CID 42148071
1-[2-[cycloheptyl(methyl)amino]-3-pyridinyl]ethanol
CID 114055853
6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile
CID 115650122
3-[cyclobutyl(methyl)amino]-1-methylpyrazin-2-one
CID 126856997
4-[cycloheptyl(methyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060620
3-[methyl-(3-methylcyclohexyl)amino]pyrazine-2-carbonitrile
CID 62685040

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methyl)amino]-4-iodopyridine-3-carbonitrile?
The IUPAC name of 2-[cyclohexyl(methyl)amino]-4-iodopyridine-3-carbonitrile (CID 89498314) is 2-[cyclohexyl(methyl)amino]-4-iodopyridine-3-carbonitrile.
What is the SMILES notation for 2-[cyclohexyl(methyl)amino]-4-iodopyridine-3-carbonitrile?
The canonical SMILES for 2-[cyclohexyl(methyl)amino]-4-iodopyridine-3-carbonitrile is CN(c1nccc(I)c1C#N)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methyl)amino]-4-iodopyridine-3-carbonitrile?
The InChIKey is MTEAJPOUPMXNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16IN3/c1-17(10-5-3-2-4-6-10)13-11(9-15)12(14)7-8-16-13/h7-8,10H,2-6H2,1H3.
What are the key properties of 2-[cyclohexyl(methyl)amino]-4-iodopyridine-3-carbonitrile?
2-[cyclohexyl(methyl)amino]-4-iodopyridine-3-carbonitrile has a molecular weight of 341.20 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methyl)amino]-4-iodopyridine-3-carbonitrile is sourced from PubChem (CID 89498314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).