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

C22H26N4O2 — CID 135443473

IUPAC2-amino-6-[2-(cyclobutylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile
SMILESN#Cc1c(C2CCNCC2)cc(-c2c(O)cccc2OCC2CCC2)nc1N
InChIInChI=1S/C22H26N4O2/c23-12-17-16(15-7-9-25-10-8-15)11-18(26-22(17)24)21-19(27)5-2-6-20(21)28-13-14-3-1-4-14/h2,5-6,11,14-15,25,27H,1,3-4,7-10,13H2,(H2,24,26)
InChIKeyYCBMOJCSUJUUBS-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.55
Rot. Bonds5

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

2-amino-6-[2-(cyclobutylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile (PubChem CID 135443473) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-amino-6-[2-(cyclobutylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-[2-(cyclobutylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile
PubChem CID135443473
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-amino-6-[2-(cyclobutylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile
SMILESN#Cc1c(C2CCNCC2)cc(-c2c(O)cccc2OCC2CCC2)nc1N
InChIInChI=1S/C22H26N4O2/c23-12-17-16(15-7-9-25-10-8-15)11-18(26-22(17)24)21-19(27)5-2-6-20(21)28-13-14-3-1-4-14/h2,5-6,11,14-15,25,27H,1,3-4,7-10,13H2,(H2,24,26)
InChIKeyYCBMOJCSUJUUBS-UHFFFAOYSA-N
XLogP3.55
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.55
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-(cyclobutylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-[2-(cyclobutylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile (CID 135443473) is 2-amino-6-[2-(cyclobutylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-[2-(cyclobutylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-[2-(cyclobutylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile is N#Cc1c(C2CCNCC2)cc(-c2c(O)cccc2OCC2CCC2)nc1N.
What is the InChIKey of 2-amino-6-[2-(cyclobutylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile?
The InChIKey is YCBMOJCSUJUUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c23-12-17-16(15-7-9-25-10-8-15)11-18(26-22(17)24)21-19(27)5-2-6-20(21)28-13-14-3-1-4-14/h2,5-6,11,14-15,25,27H,1,3-4,7-10,13H2,(H2,24,26).
What are the key properties of 2-amino-6-[2-(cyclobutylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile?
2-amino-6-[2-(cyclobutylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile has a molecular weight of 378.48 g/mol, XLogP of 3.55, 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-(cyclobutylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 135443473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).