6-[[(1S,2S)-2-ethylcyclohexyl]-methylamino]pyridine-3-carbonitrile

C15H21N3 — CID 97026085

IUPAC6-[[(1S,2S)-2-ethylcyclohexyl]-methylamino]pyridine-3-carbonitrile
SMILESCC[C@H]1CCCC[C@@H]1N(C)c1ccc(C#N)cn1
InChIInChI=1S/C15H21N3/c1-3-13-6-4-5-7-14(13)18(2)15-9-8-12(10-16)11-17-15/h8-9,11,13-14H,3-7H2,1-2H3/t13-,14-/m0/s1
InChIKeyQAEMIAWMVSNQFO-KBPBESRZSA-N
MW243.35 g/mol
LogP3.36
Rot. Bonds3

About 6-[[(1S,2S)-2-ethylcyclohexyl]-methylamino]pyridine-3-carbonitrile

6-[[(1S,2S)-2-ethylcyclohexyl]-methylamino]pyridine-3-carbonitrile (PubChem CID 97026085) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 6-[[(1S,2S)-2-ethylcyclohexyl]-methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(1S,2S)-2-ethylcyclohexyl]-methylamino]pyridine-3-carbonitrile
PubChem CID97026085
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name6-[[(1S,2S)-2-ethylcyclohexyl]-methylamino]pyridine-3-carbonitrile
SMILESCC[C@H]1CCCC[C@@H]1N(C)c1ccc(C#N)cn1
InChIInChI=1S/C15H21N3/c1-3-13-6-4-5-7-14(13)18(2)15-9-8-12(10-16)11-17-15/h8-9,11,13-14H,3-7H2,1-2H3/t13-,14-/m0/s1
InChIKeyQAEMIAWMVSNQFO-KBPBESRZSA-N
XLogP3.36
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[cyclobutyl(methyl)amino]pyridine-3-carbonitrile
CID 115650122
6-[(4,4-difluorocyclohexyl)-methylamino]pyridine-3-carbonitrile
CID 170765180
6-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carbonitrile
CID 60706429
6-[(3-ethoxyspiro[3.5]nonan-1-yl)-methylamino]pyridine-3-carbonitrile
CID 133356894
6-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-methylamino]pyridine-3-carbonitrile
CID 170765077
6-[methyl(piperidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106642122
N-(5-cyano-2-pyridinyl)-3-cyclopentyl-N-methylpropanamide
CID 115273575
6-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]-methylamino]pyridine-3-carbonitrile
CID 22236362
4-[(5-cyano-2-pyridinyl)-methylamino]oxolane-3-carboxylic acid
CID 66238193
6-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106619350
6-[ethyl(piperidin-4-ylmethyl)amino]pyridine-3-carbonitrile
CID 79719387
4-[(2-hydroxycyclohexyl)-methylamino]benzonitrile
CID 62983263

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S,2S)-2-ethylcyclohexyl]-methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(1S,2S)-2-ethylcyclohexyl]-methylamino]pyridine-3-carbonitrile (CID 97026085) is 6-[[(1S,2S)-2-ethylcyclohexyl]-methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(1S,2S)-2-ethylcyclohexyl]-methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(1S,2S)-2-ethylcyclohexyl]-methylamino]pyridine-3-carbonitrile is CC[C@H]1CCCC[C@@H]1N(C)c1ccc(C#N)cn1.
What is the InChIKey of 6-[[(1S,2S)-2-ethylcyclohexyl]-methylamino]pyridine-3-carbonitrile?
The InChIKey is QAEMIAWMVSNQFO-KBPBESRZSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-13-6-4-5-7-14(13)18(2)15-9-8-12(10-16)11-17-15/h8-9,11,13-14H,3-7H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of 6-[[(1S,2S)-2-ethylcyclohexyl]-methylamino]pyridine-3-carbonitrile?
6-[[(1S,2S)-2-ethylcyclohexyl]-methylamino]pyridine-3-carbonitrile has a molecular weight of 243.35 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S,2S)-2-ethylcyclohexyl]-methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 97026085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).