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

C24H30N4O2 — CID 135584965

IUPAC2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-3-ylpyridine-3-carbonitrile
SMILESN#Cc1c(C2CCCNC2)cc(-c2c(O)cccc2OCC2CCCCC2)nc1N
InChIInChI=1S/C24H30N4O2/c25-13-19-18(17-8-5-11-27-14-17)12-20(28-24(19)26)23-21(29)9-4-10-22(23)30-15-16-6-2-1-3-7-16/h4,9-10,12,16-17,27,29H,1-3,5-8,11,14-15H2,(H2,26,28)
InChIKeyOMOYPZZPBXLXLP-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.33
Rot. Bonds5

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

2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-3-ylpyridine-3-carbonitrile (PubChem CID 135584965) 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-3-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-3-ylpyridine-3-carbonitrile
PubChem CID135584965
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-3-ylpyridine-3-carbonitrile
SMILESN#Cc1c(C2CCCNC2)cc(-c2c(O)cccc2OCC2CCCCC2)nc1N
InChIInChI=1S/C24H30N4O2/c25-13-19-18(17-8-5-11-27-14-17)12-20(28-24(19)26)23-21(29)9-4-10-22(23)30-15-16-6-2-1-3-7-16/h4,9-10,12,16-17,27,29H,1-3,5-8,11,14-15H2,(H2,26,28)
InChIKeyOMOYPZZPBXLXLP-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-3-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-3-ylpyridine-3-carbonitrile (CID 135584965) is 2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-3-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-3-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-3-ylpyridine-3-carbonitrile is N#Cc1c(C2CCCNC2)cc(-c2c(O)cccc2OCC2CCCCC2)nc1N.
What is the InChIKey of 2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-3-ylpyridine-3-carbonitrile?
The InChIKey is OMOYPZZPBXLXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c25-13-19-18(17-8-5-11-27-14-17)12-20(28-24(19)26)23-21(29)9-4-10-22(23)30-15-16-6-2-1-3-7-16/h4,9-10,12,16-17,27,29H,1-3,5-8,11,14-15H2,(H2,26,28).
What are the key properties of 2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-3-ylpyridine-3-carbonitrile?
2-amino-6-[2-(cyclohexylmethoxy)-6-hydroxyphenyl]-4-piperidin-3-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-3-ylpyridine-3-carbonitrile is sourced from PubChem (CID 135584965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).