4-[1-(4-methoxyphenyl)ethylamino]-6-methylpyridine-3-carboxylic acid

C16H18N2O3 — CID 81244192

IUPAC4-[1-(4-methoxyphenyl)ethylamino]-6-methylpyridine-3-carboxylic acid
SMILESCOc1ccc(C(C)Nc2cc(C)ncc2C(=O)O)cc1
InChIInChI=1S/C16H18N2O3/c1-10-8-15(14(9-17-10)16(19)20)18-11(2)12-4-6-13(21-3)7-5-12/h4-9,11H,1-3H3,(H,17,18)(H,19,20)
InChIKeyYOZGWUYODVGWAM-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.27
Rot. Bonds5

About 4-[1-(4-methoxyphenyl)ethylamino]-6-methylpyridine-3-carboxylic acid

4-[1-(4-methoxyphenyl)ethylamino]-6-methylpyridine-3-carboxylic acid (PubChem CID 81244192) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[1-(4-methoxyphenyl)ethylamino]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[1-(4-methoxyphenyl)ethylamino]-6-methylpyridine-3-carboxylic acid
PubChem CID81244192
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-[1-(4-methoxyphenyl)ethylamino]-6-methylpyridine-3-carboxylic acid
SMILESCOc1ccc(C(C)Nc2cc(C)ncc2C(=O)O)cc1
InChIInChI=1S/C16H18N2O3/c1-10-8-15(14(9-17-10)16(19)20)18-11(2)12-4-6-13(21-3)7-5-12/h4-9,11H,1-3H3,(H,17,18)(H,19,20)
InChIKeyYOZGWUYODVGWAM-UHFFFAOYSA-N
XLogP3.27
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43322114
4-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81230651
4-(2,4-dimethoxyanilino)-6-methylpyridine-3-carboxylic acid
CID 81230836
4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 81233505
4-(1-cyclopropylethylamino)-6-methylpyridine-3-carboxylic acid
CID 81233057
2-amino-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 66195282
2-fluoro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43727966
2-chloro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43736310
3-fluoro-2-[1-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
CID 105382448
4-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-6-methylpyridine-3-carboxylic acid
CID 106345794
4-fluoro-3-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43728187
4-(1-ethoxypropan-2-ylamino)-6-methylpyridine-3-carboxylic acid
CID 81243462

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxyphenyl)ethylamino]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-[1-(4-methoxyphenyl)ethylamino]-6-methylpyridine-3-carboxylic acid (CID 81244192) is 4-[1-(4-methoxyphenyl)ethylamino]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[1-(4-methoxyphenyl)ethylamino]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[1-(4-methoxyphenyl)ethylamino]-6-methylpyridine-3-carboxylic acid is COc1ccc(C(C)Nc2cc(C)ncc2C(=O)O)cc1.
What is the InChIKey of 4-[1-(4-methoxyphenyl)ethylamino]-6-methylpyridine-3-carboxylic acid?
The InChIKey is YOZGWUYODVGWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-8-15(14(9-17-10)16(19)20)18-11(2)12-4-6-13(21-3)7-5-12/h4-9,11H,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 4-[1-(4-methoxyphenyl)ethylamino]-6-methylpyridine-3-carboxylic acid?
4-[1-(4-methoxyphenyl)ethylamino]-6-methylpyridine-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxyphenyl)ethylamino]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81244192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).