6-[4-(cyclohexylamino)phenoxy]pyridine-2-carbonitrile

C18H19N3O — CID 133392479

IUPAC6-[4-(cyclohexylamino)phenoxy]pyridine-2-carbonitrile
SMILESN#Cc1cccc(Oc2ccc(NC3CCCCC3)cc2)n1
InChIInChI=1S/C18H19N3O/c19-13-16-7-4-8-18(21-16)22-17-11-9-15(10-12-17)20-14-5-2-1-3-6-14/h4,7-12,14,20H,1-3,5-6H2
InChIKeyYUTYWPOHDINMCC-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.49
Rot. Bonds4

About 6-[4-(cyclohexylamino)phenoxy]pyridine-2-carbonitrile

6-[4-(cyclohexylamino)phenoxy]pyridine-2-carbonitrile (PubChem CID 133392479) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 6-[4-(cyclohexylamino)phenoxy]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(cyclohexylamino)phenoxy]pyridine-2-carbonitrile
PubChem CID133392479
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name6-[4-(cyclohexylamino)phenoxy]pyridine-2-carbonitrile
SMILESN#Cc1cccc(Oc2ccc(NC3CCCCC3)cc2)n1
InChIInChI=1S/C18H19N3O/c19-13-16-7-4-8-18(21-16)22-17-11-9-15(10-12-17)20-14-5-2-1-3-6-14/h4,7-12,14,20H,1-3,5-6H2
InChIKeyYUTYWPOHDINMCC-UHFFFAOYSA-N
XLogP4.49
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-prop-2-enoxyphenoxy)pyridine-2-carbonitrile
CID 133392727
N-(4-methoxyphenyl)cyclooctanamine
CID 29275692
6-(4-propan-2-yloxyphenoxy)pyridine-2-carbonitrile
CID 133392591
6-[4-(pyrrolidine-1-carbonyl)phenoxy]pyridine-2-carbonitrile
CID 133392332
3-(cyclododecylamino)benzonitrile
CID 63422717
6-quinolin-6-yloxypyridine-2-carbonitrile
CID 133392287
6-[4-(1,2,4-triazol-1-yl)phenoxy]pyridine-2-carbonitrile
CID 133392619
6-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carbonitrile
CID 79111014
2-cycloheptyloxypyrimidine-4-carbonitrile
CID 107545864
1-N,3-N-dicyclohexylbenzene-1,3-diamine
CID 19708208
2-[4-(cyclooctylamino)phenyl]-2-methylpropanenitrile
CID 43674341
N-cyclopentyl-3-phenoxyaniline
CID 55191413

Frequently Asked Questions

What is the IUPAC name of 6-[4-(cyclohexylamino)phenoxy]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-(cyclohexylamino)phenoxy]pyridine-2-carbonitrile (CID 133392479) is 6-[4-(cyclohexylamino)phenoxy]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-(cyclohexylamino)phenoxy]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-(cyclohexylamino)phenoxy]pyridine-2-carbonitrile is N#Cc1cccc(Oc2ccc(NC3CCCCC3)cc2)n1.
What is the InChIKey of 6-[4-(cyclohexylamino)phenoxy]pyridine-2-carbonitrile?
The InChIKey is YUTYWPOHDINMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c19-13-16-7-4-8-18(21-16)22-17-11-9-15(10-12-17)20-14-5-2-1-3-6-14/h4,7-12,14,20H,1-3,5-6H2.
What are the key properties of 6-[4-(cyclohexylamino)phenoxy]pyridine-2-carbonitrile?
6-[4-(cyclohexylamino)phenoxy]pyridine-2-carbonitrile has a molecular weight of 293.37 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(cyclohexylamino)phenoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 133392479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).