4-[2-(4-hydroxyphenyl)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid

C16H18N2O3 — CID 81037398

IUPAC4-[2-(4-hydroxyphenyl)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(NCCc2ccc(O)cc2)c(C(=O)O)c(C)n1
InChIInChI=1S/C16H18N2O3/c1-10-9-14(15(16(20)21)11(2)18-10)17-8-7-12-3-5-13(19)6-4-12/h3-6,9,19H,7-8H2,1-2H3,(H,17,18)(H,20,21)
InChIKeyZAHQVJMXPXKOSF-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.76
Rot. Bonds5

About 4-[2-(4-hydroxyphenyl)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid

4-[2-(4-hydroxyphenyl)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid (PubChem CID 81037398) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[2-(4-hydroxyphenyl)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(4-hydroxyphenyl)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid
PubChem CID81037398
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-[2-(4-hydroxyphenyl)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid
SMILESCc1cc(NCCc2ccc(O)cc2)c(C(=O)O)c(C)n1
InChIInChI=1S/C16H18N2O3/c1-10-9-14(15(16(20)21)11(2)18-10)17-8-7-12-3-5-13(19)6-4-12/h3-6,9,19H,7-8H2,1-2H3,(H,17,18)(H,20,21)
InChIKeyZAHQVJMXPXKOSF-UHFFFAOYSA-N
XLogP2.76
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-4-(2-phenylethylamino)pyridine-3-carboxylic acid
CID 81051961
2-[2-(4-hydroxyphenyl)ethylamino]-4,6-dimethylpyrimidine-5-carboxylic acid
CID 70896122
4-[2-(4-aminophenyl)ethylamino]-2,6-dimethylpyridine-3-carboxamide
CID 81035906
4-[2-[(2-methylquinolin-4-yl)amino]ethyl]phenol
CID 61238902
4-(ethylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81052197
2,6-dimethyl-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 106423238
4-[2-(dimethylamino)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81052116
4-(hexylamino)-2,6-dimethylpyridine-3-carboxylic acid
CID 81053067
2,6-dimethyl-4-(thiophen-3-ylmethylamino)pyridine-3-carboxylic acid
CID 81053456
4-[4-(dimethylamino)butylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81052279
2,6-dimethyl-4-(3-sulfamoylpropylamino)pyridine-3-carboxylic acid
CID 81051441
2,6-dimethyl-4-(2,2,2-trifluoroethylamino)pyridine-3-carboxylic acid
CID 81051889

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxyphenyl)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid?
The IUPAC name of 4-[2-(4-hydroxyphenyl)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid (CID 81037398) is 4-[2-(4-hydroxyphenyl)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(4-hydroxyphenyl)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[2-(4-hydroxyphenyl)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid is Cc1cc(NCCc2ccc(O)cc2)c(C(=O)O)c(C)n1.
What is the InChIKey of 4-[2-(4-hydroxyphenyl)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid?
The InChIKey is ZAHQVJMXPXKOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-9-14(15(16(20)21)11(2)18-10)17-8-7-12-3-5-13(19)6-4-12/h3-6,9,19H,7-8H2,1-2H3,(H,17,18)(H,20,21).
What are the key properties of 4-[2-(4-hydroxyphenyl)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid?
4-[2-(4-hydroxyphenyl)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxyphenyl)ethylamino]-2,6-dimethylpyridine-3-carboxylic acid is sourced from PubChem (CID 81037398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).