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

C24H30N4O2 — CID 136916075

IUPAC2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile
SMILESN#Cc1c(C2CCNCC2)cc(-c2c(O)cccc2OCC2CCCCC2)nc1N
InChIInChI=1S/C24H30N4O2/c25-14-19-18(17-9-11-27-12-10-17)13-20(28-24(19)26)23-21(29)7-4-8-22(23)30-15-16-5-2-1-3-6-16/h4,7-8,13,16-17,27,29H,1-3,5-6,9-12,15H2,(H2,26,28)
InChIKeyWYVPBSZHQIEJLU-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.33
Rot. Bonds5

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

2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile (PubChem CID 136916075) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile
PubChem CID136916075
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile
SMILESN#Cc1c(C2CCNCC2)cc(-c2c(O)cccc2OCC2CCCCC2)nc1N
InChIInChI=1S/C24H30N4O2/c25-14-19-18(17-9-11-27-12-10-17)13-20(28-24(19)26)23-21(29)7-4-8-22(23)30-15-16-5-2-1-3-6-16/h4,7-8,13,16-17,27,29H,1-3,5-6,9-12,15H2,(H2,26,28)
InChIKeyWYVPBSZHQIEJLU-UHFFFAOYSA-N
XLogP4.33
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-[2-hydroxy-6-(oxolan-2-ylmethoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride
CID 162307678
2-amino-6-[2-hydroxy-6-(2-methylpropoxy)phenyl]-4-piperidin-4-ylpyridine-3-carbonitrile;hydrochloride
CID 162324206
2-amino-6-[2-(3-cyclohexylpropyl)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile
CID 142128735
2-amino-6-(2-hexyl-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile
CID 142128791
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol
CID 135481185
2-amino-6-[2-hydroxy-6-[(4-methylphenyl)methoxy]phenyl]-4-piperidin-3-ylpyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 169430295
2-(2-amino-6-piperidin-3-ylpyrimidin-4-yl)-3-(cyclopropylmethoxy)phenol;hydrochloride
CID 142686934
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-[2-(benzylamino)ethylamino]-6-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]pyridine-3-carbonitrile;hydrochloride
CID 159287388
7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-2-oxo-5-piperidin-3-yl-1H-1,8-naphthyridine-3-carbonitrile;hydrochloride
CID 162335678
2-amino-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile;hydrochloride
CID 135550626
7-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-5-piperidin-3-yl-1,4-dihydropyrido[2,3-d][1,3]oxazin-2-one;ethane
CID 142804159

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile (CID 136916075) is 2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile is N#Cc1c(C2CCNCC2)cc(-c2c(O)cccc2OCC2CCCCC2)nc1N.
What is the InChIKey of 2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile?
The InChIKey is WYVPBSZHQIEJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c25-14-19-18(17-9-11-27-12-10-17)13-20(28-24(19)26)23-21(29)7-4-8-22(23)30-15-16-5-2-1-3-6-16/h4,7-8,13,16-17,27,29H,1-3,5-6,9-12,15H2,(H2,26,28).
What are the key properties of 2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile?
2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile has a molecular weight of 406.53 g/mol, XLogP of 4.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 136916075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).