2-amino-6-(2,6-dihydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile

C17H18N4O2 — CID 135584961

IUPAC2-amino-6-(2,6-dihydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile
SMILESN#Cc1c(C2CCCNC2)cc(-c2c(O)cccc2O)nc1N
InChIInChI=1S/C17H18N4O2/c18-8-12-11(10-3-2-6-20-9-10)7-13(21-17(12)19)16-14(22)4-1-5-15(16)23/h1,4-5,7,10,20,22-23H,2-3,6,9H2,(H2,19,21)
InChIKeyVYLKDJPATHVWKR-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.08
Rot. Bonds2

About 2-amino-6-(2,6-dihydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile

2-amino-6-(2,6-dihydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile (PubChem CID 135584961) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-amino-6-(2,6-dihydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2,6-dihydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile
PubChem CID135584961
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-amino-6-(2,6-dihydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile
SMILESN#Cc1c(C2CCCNC2)cc(-c2c(O)cccc2O)nc1N
InChIInChI=1S/C17H18N4O2/c18-8-12-11(10-3-2-6-20-9-10)7-13(21-17(12)19)16-14(22)4-1-5-15(16)23/h1,4-5,7,10,20,22-23H,2-3,6,9H2,(H2,19,21)
InChIKeyVYLKDJPATHVWKR-UHFFFAOYSA-N
XLogP2.08
TPSA115.19 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.08
H-Bond Donors ≤ 54
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
N-{3-[2-Amino-3-cyano-6-(2-hydroxyphenyl)pyridin-4-yl]phenyl}-3-(piperidin-1-yl)propanamide
CID 135456003
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,6-dihydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2,6-dihydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile (CID 135584961) is 2-amino-6-(2,6-dihydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2,6-dihydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2,6-dihydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile is N#Cc1c(C2CCCNC2)cc(-c2c(O)cccc2O)nc1N.
What is the InChIKey of 2-amino-6-(2,6-dihydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile?
The InChIKey is VYLKDJPATHVWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c18-8-12-11(10-3-2-6-20-9-10)7-13(21-17(12)19)16-14(22)4-1-5-15(16)23/h1,4-5,7,10,20,22-23H,2-3,6,9H2,(H2,19,21).
What are the key properties of 2-amino-6-(2,6-dihydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile?
2-amino-6-(2,6-dihydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile has a molecular weight of 310.36 g/mol, XLogP of 2.08, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,6-dihydroxyphenyl)-4-piperidin-3-ylpyridine-3-carbonitrile is sourced from PubChem (CID 135584961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).