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

C18H20N4O2 — CID 135584974

IUPAC2-amino-6-(2-hydroxy-6-methoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile
SMILESCOc1cccc(O)c1-c1cc(C2CCCNC2)c(C#N)c(N)n1
InChIInChI=1S/C18H20N4O2/c1-24-16-6-2-5-15(23)17(16)14-8-12(11-4-3-7-21-10-11)13(9-19)18(20)22-14/h2,5-6,8,11,21,23H,3-4,7,10H2,1H3,(H2,20,22)
InChIKeyDABRFLSFDBXABL-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.38
Rot. Bonds3

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

2-amino-6-(2-hydroxy-6-methoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile (PubChem CID 135584974) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-amino-6-(2-hydroxy-6-methoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-hydroxy-6-methoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile
PubChem CID135584974
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-amino-6-(2-hydroxy-6-methoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile
SMILESCOc1cccc(O)c1-c1cc(C2CCCNC2)c(C#N)c(N)n1
InChIInChI=1S/C18H20N4O2/c1-24-16-6-2-5-15(23)17(16)14-8-12(11-4-3-7-21-10-11)13(9-19)18(20)22-14/h2,5-6,8,11,21,23H,3-4,7,10H2,1H3,(H2,20,22)
InChIKeyDABRFLSFDBXABL-UHFFFAOYSA-N
XLogP2.38
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.38
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
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
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
2-Amino-5-fluoro-6-(2-hydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile
CID 135550601
2-Amino-4-(2-amino-2-phenylethyl)-6-(2-hydroxyphenyl)pyridine-3-carbonitrile
CID 135584957

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-hydroxy-6-methoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2-hydroxy-6-methoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile (CID 135584974) is 2-amino-6-(2-hydroxy-6-methoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2-hydroxy-6-methoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2-hydroxy-6-methoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile is COc1cccc(O)c1-c1cc(C2CCCNC2)c(C#N)c(N)n1.
What is the InChIKey of 2-amino-6-(2-hydroxy-6-methoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile?
The InChIKey is DABRFLSFDBXABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-24-16-6-2-5-15(23)17(16)14-8-12(11-4-3-7-21-10-11)13(9-19)18(20)22-14/h2,5-6,8,11,21,23H,3-4,7,10H2,1H3,(H2,20,22).
What are the key properties of 2-amino-6-(2-hydroxy-6-methoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile?
2-amino-6-(2-hydroxy-6-methoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile has a molecular weight of 324.38 g/mol, XLogP of 2.38, 3 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-methoxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile is sourced from PubChem (CID 135584974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).