6-[[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]methyl]pyridine-3-carbonitrile

C17H20N4O — CID 167971641

IUPAC6-[[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Cn2ccnc2C(O)C2CCCCC2)nc1
InChIInChI=1S/C17H20N4O/c18-10-13-6-7-15(20-11-13)12-21-9-8-19-17(21)16(22)14-4-2-1-3-5-14/h6-9,11,14,16,22H,1-5,12H2
InChIKeyOLYQAGCJTLUZIH-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.81
Rot. Bonds4

About 6-[[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]methyl]pyridine-3-carbonitrile

6-[[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]methyl]pyridine-3-carbonitrile (PubChem CID 167971641) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-[[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]methyl]pyridine-3-carbonitrile
PubChem CID167971641
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name6-[[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(Cn2ccnc2C(O)C2CCCCC2)nc1
InChIInChI=1S/C17H20N4O/c18-10-13-6-7-15(20-11-13)12-21-9-8-19-17(21)16(22)14-4-2-1-3-5-14/h6-9,11,14,16,22H,1-5,12H2
InChIKeyOLYQAGCJTLUZIH-UHFFFAOYSA-N
XLogP2.81
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]methyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]methyl]pyridine-3-carbonitrile (CID 167971641) is 6-[[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]methyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]methyl]pyridine-3-carbonitrile is N#Cc1ccc(Cn2ccnc2C(O)C2CCCCC2)nc1.
What is the InChIKey of 6-[[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]methyl]pyridine-3-carbonitrile?
The InChIKey is OLYQAGCJTLUZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c18-10-13-6-7-15(20-11-13)12-21-9-8-19-17(21)16(22)14-4-2-1-3-5-14/h6-9,11,14,16,22H,1-5,12H2.
What are the key properties of 6-[[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]methyl]pyridine-3-carbonitrile?
6-[[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]methyl]pyridine-3-carbonitrile has a molecular weight of 296.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[cyclohexyl(hydroxy)methyl]imidazol-1-yl]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 167971641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).