2-amino-6-[2-(3-cyclohexylpropyl)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile

C26H34N4O — CID 142128735

IUPAC2-amino-6-[2-(3-cyclohexylpropyl)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile
SMILESN#Cc1c(C2CCNCC2)cc(-c2c(O)cccc2CCCC2CCCCC2)nc1N
InChIInChI=1S/C26H34N4O/c27-17-22-21(19-12-14-29-15-13-19)16-23(30-26(22)28)25-20(10-5-11-24(25)31)9-4-8-18-6-2-1-3-7-18/h5,10-11,16,18-19,29,31H,1-4,6-9,12-15H2,(H2,28,30)
InChIKeyHAOCYCUMTDAOQP-UHFFFAOYSA-N
MW418.59 g/mol
LogP5.28
Rot. Bonds6

About 2-amino-6-[2-(3-cyclohexylpropyl)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile

2-amino-6-[2-(3-cyclohexylpropyl)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile (PubChem CID 142128735) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is 2-amino-6-[2-(3-cyclohexylpropyl)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-[2-(3-cyclohexylpropyl)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile
PubChem CID142128735
Molecular FormulaC26H34N4O
Molecular Weight418.59 g/mol
Exact Mass418.27
IUPAC Name2-amino-6-[2-(3-cyclohexylpropyl)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile
SMILESN#Cc1c(C2CCNCC2)cc(-c2c(O)cccc2CCCC2CCCCC2)nc1N
InChIInChI=1S/C26H34N4O/c27-17-22-21(19-12-14-29-15-13-19)16-23(30-26(22)28)25-20(10-5-11-24(25)31)9-4-8-18-6-2-1-3-7-18/h5,10-11,16,18-19,29,31H,1-4,6-9,12-15H2,(H2,28,30)
InChIKeyHAOCYCUMTDAOQP-UHFFFAOYSA-N
XLogP5.28
TPSA94.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.59
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-(2-hexyl-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile
CID 142128791
2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile
CID 136916075
2-amino-6-[2-hydroxy-6-(2-methylpropoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride
CID 162324206
2-amino-6-[2-hydroxy-6-(oxolan-2-ylmethoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride
CID 162307678
2-amino-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride
CID 135550626
2-amino-6-(2,5-dimethylthiophen-3-yl)-4-piperidin-4-ylpyridine-3-carbonitrile
CID 56863982
2-amino-6-[2-hydroxy-6-[(4-methylphenyl)methoxy]phenyl]-4-piperidin-3-ylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 169430295
2-amino-6-[2-hydroxy-6-(naphthalen-2-ylmethoxy)phenyl]-4-piperidin-3-ylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 160960323
2-amino-4-(3-aminocyclohexyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile;hydrochloride
CID 162321627
4-amino-2-[2-hydroxy-6-(3-methylbutyl)phenyl]-6-piperidin-3-ylpyrimidine-5-carbonitrile
CID 135399698
2-amino-6-(2-hydroxyphenyl)-4-(1-propylpiperidin-3-yl)pyridine-3-carbonitrile;methane
CID 157316787
2-[[6-[2-(2-cyclopropylethyl)-6-hydroxyphenyl]-2-methyl-4-piperidin-3-yl-3-pyridinyl]methyl]-3-oxobutanamide;ethane
CID 142128789

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-(3-cyclohexylpropyl)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-[2-(3-cyclohexylpropyl)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile (CID 142128735) is 2-amino-6-[2-(3-cyclohexylpropyl)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-[2-(3-cyclohexylpropyl)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-[2-(3-cyclohexylpropyl)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile is N#Cc1c(C2CCNCC2)cc(-c2c(O)cccc2CCCC2CCCCC2)nc1N.
What is the InChIKey of 2-amino-6-[2-(3-cyclohexylpropyl)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile?
The InChIKey is HAOCYCUMTDAOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O/c27-17-22-21(19-12-14-29-15-13-19)16-23(30-26(22)28)25-20(10-5-11-24(25)31)9-4-8-18-6-2-1-3-7-18/h5,10-11,16,18-19,29,31H,1-4,6-9,12-15H2,(H2,28,30).
What are the key properties of 2-amino-6-[2-(3-cyclohexylpropyl)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile?
2-amino-6-[2-(3-cyclohexylpropyl)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile has a molecular weight of 418.59 g/mol, XLogP of 5.28, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-(3-cyclohexylpropyl)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 142128735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).