3-fluoro-2-[1-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid

C15H15FN2O3 — CID 105382448

IUPAC3-fluoro-2-[1-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
SMILESCOc1ccc(C(C)Nc2nccc(C(=O)O)c2F)cc1
InChIInChI=1S/C15H15FN2O3/c1-9(10-3-5-11(21-2)6-4-10)18-14-13(16)12(15(19)20)7-8-17-14/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKeyAYSULRZPAFEPPA-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.10
Rot. Bonds5

About 3-fluoro-2-[1-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid

3-fluoro-2-[1-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid (PubChem CID 105382448) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-fluoro-2-[1-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-[1-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
PubChem CID105382448
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name3-fluoro-2-[1-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
SMILESCOc1ccc(C(C)Nc2nccc(C(=O)O)c2F)cc1
InChIInChI=1S/C15H15FN2O3/c1-9(10-3-5-11(21-2)6-4-10)18-14-13(16)12(15(19)20)7-8-17-14/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKeyAYSULRZPAFEPPA-UHFFFAOYSA-N
XLogP3.10
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carboxylate
CID 66242631
2-fluoro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43727966
2-(2,5-dimethoxyanilino)-3-fluoropyridine-4-carboxylic acid
CID 105381770
2-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43322114
4-[1-(4-methoxyphenyl)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 81244192
5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-2-carboxylic acid
CID 114406914
3-fluoro-2-(4-methylsulfanylbutan-2-ylamino)pyridine-4-carboxylic acid
CID 105382664
3-fluoro-2-(octan-4-ylamino)pyridine-4-carboxylic acid
CID 106019558
2-amino-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 66195282
2-chloro-5-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 43736310
2-fluoro-6-[1-(4-methoxyphenyl)ethylamino]benzoic acid
CID 79516673
3-fluoro-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 106161995

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[1-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-[1-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid (CID 105382448) is 3-fluoro-2-[1-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-[1-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-[1-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid is COc1ccc(C(C)Nc2nccc(C(=O)O)c2F)cc1.
What is the InChIKey of 3-fluoro-2-[1-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid?
The InChIKey is AYSULRZPAFEPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-9(10-3-5-11(21-2)6-4-10)18-14-13(16)12(15(19)20)7-8-17-14/h3-9H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 3-fluoro-2-[1-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid?
3-fluoro-2-[1-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid has a molecular weight of 290.29 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[1-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 105382448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).