2-amino-6-(2-hydroxyphenyl)-4-(1-methylpiperidin-3-yl)pyridine-3-carbonitrile

C18H20N4O — CID 135584978

IUPAC2-amino-6-(2-hydroxyphenyl)-4-(1-methylpiperidin-3-yl)pyridine-3-carbonitrile
SMILESCN1CCCC(c2cc(-c3ccccc3O)nc(N)c2C#N)C1
InChIInChI=1S/C18H20N4O/c1-22-8-4-5-12(11-22)14-9-16(21-18(20)15(14)10-19)13-6-2-3-7-17(13)23/h2-3,6-7,9,12,23H,4-5,8,11H2,1H3,(H2,20,21)
InChIKeyWQKHIXZHZZBCAG-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.72
Rot. Bonds2

About 2-amino-6-(2-hydroxyphenyl)-4-(1-methylpiperidin-3-yl)pyridine-3-carbonitrile

2-amino-6-(2-hydroxyphenyl)-4-(1-methylpiperidin-3-yl)pyridine-3-carbonitrile (PubChem CID 135584978) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-amino-6-(2-hydroxyphenyl)-4-(1-methylpiperidin-3-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-hydroxyphenyl)-4-(1-methylpiperidin-3-yl)pyridine-3-carbonitrile
PubChem CID135584978
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name2-amino-6-(2-hydroxyphenyl)-4-(1-methylpiperidin-3-yl)pyridine-3-carbonitrile
SMILESCN1CCCC(c2cc(-c3ccccc3O)nc(N)c2C#N)C1
InChIInChI=1S/C18H20N4O/c1-22-8-4-5-12(11-22)14-9-16(21-18(20)15(14)10-19)13-6-2-3-7-17(13)23/h2-3,6-7,9,12,23H,4-5,8,11H2,1H3,(H2,20,21)
InChIKeyWQKHIXZHZZBCAG-UHFFFAOYSA-N
XLogP2.72
TPSA86.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-6-(4-hydroxyphenyl)-4-phenylpyridine-3-carbonitrile
CID 791050
4-Methyl-2-[[(6-methylpyridin-2-yl)amino]methyl]phenol
CID 890931
5-Pyrimidinecarbonitrile, 4-amino-2-(2,5-dihydroxyphenyl)-6-(3-piperidinyl)-
CID 135427928
2-Amino-6-(2-hydroxyphenyl)-4-(piperidin-3-yl)nicotinonitrile
CID 135432858
N-{3-[2-Amino-3-cyano-6-(2-hydroxyphenyl)pyridin-4-yl]phenyl}-3-(piperidin-1-yl)propanamide
CID 135456003
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
2-Amino-4-(2-amino-ethyl)-6-(2-hydroxy-phenyl)-nicotinonitrile
CID 135584958

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-hydroxyphenyl)-4-(1-methylpiperidin-3-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2-hydroxyphenyl)-4-(1-methylpiperidin-3-yl)pyridine-3-carbonitrile (CID 135584978) is 2-amino-6-(2-hydroxyphenyl)-4-(1-methylpiperidin-3-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2-hydroxyphenyl)-4-(1-methylpiperidin-3-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2-hydroxyphenyl)-4-(1-methylpiperidin-3-yl)pyridine-3-carbonitrile is CN1CCCC(c2cc(-c3ccccc3O)nc(N)c2C#N)C1.
What is the InChIKey of 2-amino-6-(2-hydroxyphenyl)-4-(1-methylpiperidin-3-yl)pyridine-3-carbonitrile?
The InChIKey is WQKHIXZHZZBCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-22-8-4-5-12(11-22)14-9-16(21-18(20)15(14)10-19)13-6-2-3-7-17(13)23/h2-3,6-7,9,12,23H,4-5,8,11H2,1H3,(H2,20,21).
What are the key properties of 2-amino-6-(2-hydroxyphenyl)-4-(1-methylpiperidin-3-yl)pyridine-3-carbonitrile?
2-amino-6-(2-hydroxyphenyl)-4-(1-methylpiperidin-3-yl)pyridine-3-carbonitrile has a molecular weight of 308.38 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-hydroxyphenyl)-4-(1-methylpiperidin-3-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 135584978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).