2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile

C24H24N4O2 — CID 135584963

IUPAC2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile
SMILESN#Cc1c(C2CCNCC2)cc(-c2c(O)cccc2OCc2ccccc2)nc1N
InChIInChI=1S/C24H24N4O2/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/h1-8,13,17,27,29H,9-12,15H2,(H2,26,28)
InChIKeyDFMHAHQCZSYPKE-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.95
Rot. Bonds5

About 2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile

2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile (PubChem CID 135584963) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile
PubChem CID135584963
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile
SMILESN#Cc1c(C2CCNCC2)cc(-c2c(O)cccc2OCc2ccccc2)nc1N
InChIInChI=1S/C24H24N4O2/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/h1-8,13,17,27,29H,9-12,15H2,(H2,26,28)
InChIKeyDFMHAHQCZSYPKE-UHFFFAOYSA-N
XLogP3.95
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-Amino-6-(2-(cyclopropylmethoxy)-6-hydroxyphenyl)-4-piperidin-4-yl nicotinonitrile
CID 135465539
4-Methyl-6-{[3-(Piperidin-4-Ylmethoxy)phenoxy]methyl}pyridin-2-Amine
CID 71627412
2-Amino-6-(2-hydroxyphenyl)-4-(piperidin-3-yl)nicotinonitrile
CID 135432858
2-Amino-6-[2-(cyclobutylmethoxy)-6-hydroxyphenyl]-4-piperidin-4-ylpyridine-3-carbonitrile
CID 135443473
2-Amino-6-[2-(cyclobutylmethoxy)-6-hydroxyphenyl]-4-piperidin-3-ylpyridine-3-carbonitrile
CID 135443474
Bay65-1942 free base
CID 135454904
2-Amino-6-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-4-piperidin-3-ylpyridine-3-carbonitrile
CID 135458385
2-Amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile
CID 135469484
2-Amino-6-(2-hydroxy-6-propoxyphenyl)-4-(3-piperidinyl)-3-pyridinecarbonitrile
CID 135482239
2-Amino-6-(2-hydroxy-6-propoxyphenyl)-4-(4-piperidinyl)-3-pyridinecarbonitrile
CID 135484475
2-Amino-6-(2-ethoxy-6-hydroxyphenyl)-4-(4-piperidinyl)-3-pyridinecarbonitrile
CID 135513122
2-Amino-6-(2-hexoxy-6-hydroxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile
CID 135527124

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile (CID 135584963) is 2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile is N#Cc1c(C2CCNCC2)cc(-c2c(O)cccc2OCc2ccccc2)nc1N.
What is the InChIKey of 2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile?
The InChIKey is DFMHAHQCZSYPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/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/h1-8,13,17,27,29H,9-12,15H2,(H2,26,28).
What are the key properties of 2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile?
2-amino-6-(2-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile has a molecular weight of 400.48 g/mol, XLogP of 3.95, 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-hydroxy-6-phenylmethoxyphenyl)-4-piperidin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 135584963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).