2-cyclohexyloxypyridine-3-carbonitrile;(6-cyclohexyloxy-3-pyridinyl)methanamine

C24H32N4O2 — CID 89478487

IUPAC2-cyclohexyloxypyridine-3-carbonitrile;(6-cyclohexyloxy-3-pyridinyl)methanamine
SMILESN#Cc1cccnc1OC1CCCCC1.NCc1ccc(OC2CCCCC2)nc1
InChIInChI=1S/C12H14N2O.C12H18N2O/c13-9-10-5-4-8-14-12(10)15-11-6-2-1-3-7-11;13-8-10-6-7-12(14-9-10)15-11-4-2-1-3-5-11/h4-5,8,11H,1-3,6-7H2;6-7,9,11H,1-5,8,13H2
InChIKeyIONPVJRGRZLGQG-UHFFFAOYSA-N
MW408.55 g/mol
LogP4.92
Rot. Bonds5

About 2-cyclohexyloxypyridine-3-carbonitrile;(6-cyclohexyloxy-3-pyridinyl)methanamine

2-cyclohexyloxypyridine-3-carbonitrile;(6-cyclohexyloxy-3-pyridinyl)methanamine (PubChem CID 89478487) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 2-cyclohexyloxypyridine-3-carbonitrile;(6-cyclohexyloxy-3-pyridinyl)methanamine.

Molecular Properties

Compound Name2-cyclohexyloxypyridine-3-carbonitrile;(6-cyclohexyloxy-3-pyridinyl)methanamine
PubChem CID89478487
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name2-cyclohexyloxypyridine-3-carbonitrile;(6-cyclohexyloxy-3-pyridinyl)methanamine
SMILESN#Cc1cccnc1OC1CCCCC1.NCc1ccc(OC2CCCCC2)nc1
InChIInChI=1S/C12H14N2O.C12H18N2O/c13-9-10-5-4-8-14-12(10)15-11-6-2-1-3-7-11;13-8-10-6-7-12(14-9-10)15-11-4-2-1-3-5-11/h4-5,8,11H,1-3,6-7H2;6-7,9,11H,1-5,8,13H2
InChIKeyIONPVJRGRZLGQG-UHFFFAOYSA-N
XLogP4.92
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxypyridine-3-carbonitrile;(6-cyclohexyloxy-3-pyridinyl)methanamine?
The IUPAC name of 2-cyclohexyloxypyridine-3-carbonitrile;(6-cyclohexyloxy-3-pyridinyl)methanamine (CID 89478487) is 2-cyclohexyloxypyridine-3-carbonitrile;(6-cyclohexyloxy-3-pyridinyl)methanamine.
What is the SMILES notation for 2-cyclohexyloxypyridine-3-carbonitrile;(6-cyclohexyloxy-3-pyridinyl)methanamine?
The canonical SMILES for 2-cyclohexyloxypyridine-3-carbonitrile;(6-cyclohexyloxy-3-pyridinyl)methanamine is N#Cc1cccnc1OC1CCCCC1.NCc1ccc(OC2CCCCC2)nc1.
What is the InChIKey of 2-cyclohexyloxypyridine-3-carbonitrile;(6-cyclohexyloxy-3-pyridinyl)methanamine?
The InChIKey is IONPVJRGRZLGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.C12H18N2O/c13-9-10-5-4-8-14-12(10)15-11-6-2-1-3-7-11;13-8-10-6-7-12(14-9-10)15-11-4-2-1-3-5-11/h4-5,8,11H,1-3,6-7H2;6-7,9,11H,1-5,8,13H2.
What are the key properties of 2-cyclohexyloxypyridine-3-carbonitrile;(6-cyclohexyloxy-3-pyridinyl)methanamine?
2-cyclohexyloxypyridine-3-carbonitrile;(6-cyclohexyloxy-3-pyridinyl)methanamine has a molecular weight of 408.55 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxypyridine-3-carbonitrile;(6-cyclohexyloxy-3-pyridinyl)methanamine is sourced from PubChem (CID 89478487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).