4-(4-ethoxyanilino)pyridine-3-carboxylic acid

C14H14N2O3 — CID 81233372

IUPAC4-(4-ethoxyanilino)pyridine-3-carboxylic acid
SMILESCCOc1ccc(Nc2ccncc2C(=O)O)cc1
InChIInChI=1S/C14H14N2O3/c1-2-19-11-5-3-10(4-6-11)16-13-7-8-15-9-12(13)14(17)18/h3-9H,2H2,1H3,(H,15,16)(H,17,18)
InChIKeyMCZDKCXGWHDNOW-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.92
Rot. Bonds5

About 4-(4-ethoxyanilino)pyridine-3-carboxylic acid

4-(4-ethoxyanilino)pyridine-3-carboxylic acid (PubChem CID 81233372) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-(4-ethoxyanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-ethoxyanilino)pyridine-3-carboxylic acid
PubChem CID81233372
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name4-(4-ethoxyanilino)pyridine-3-carboxylic acid
SMILESCCOc1ccc(Nc2ccncc2C(=O)O)cc1
InChIInChI=1S/C14H14N2O3/c1-2-19-11-5-3-10(4-6-11)16-13-7-8-15-9-12(13)14(17)18/h3-9H,2H2,1H3,(H,15,16)(H,17,18)
InChIKeyMCZDKCXGWHDNOW-UHFFFAOYSA-N
XLogP2.92
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyanilino)benzoic acid
CID 15247418
4-N-(4-ethoxyphenyl)pyridine-3,4-diamine
CID 29066417
4-(4-tert-butylanilino)pyridine-3-carboxylic acid
CID 81232443
N-(4-ethoxyphenyl)-4-hydrazinylpyridine-3-carboxamide
CID 81256247
2-(4-ethoxyanilino)-4-methylpyrimidine-5-carboxylic acid
CID 83181278
4-(3,4-dimethylanilino)pyridine-3-carboxylic acid
CID 81233469
N-(4-ethoxyphenyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105067886
6-methyl-4-(4-propoxyanilino)pyridine-3-carboxylic acid
CID 81244627
N-(4-ethoxyphenyl)-3-hydrazinylpyridine-4-carboxamide
CID 105071538
methyl 4-anilinopyridine-3-carboxylate
CID 119016910
2-amino-4-(4-ethoxyanilino)benzoic acid
CID 104500077
4-(4-ethoxyanilino)pyridine-2-carboxylic acid
CID 43326061

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyanilino)pyridine-3-carboxylic acid?
The IUPAC name of 4-(4-ethoxyanilino)pyridine-3-carboxylic acid (CID 81233372) is 4-(4-ethoxyanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(4-ethoxyanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(4-ethoxyanilino)pyridine-3-carboxylic acid is CCOc1ccc(Nc2ccncc2C(=O)O)cc1.
What is the InChIKey of 4-(4-ethoxyanilino)pyridine-3-carboxylic acid?
The InChIKey is MCZDKCXGWHDNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-2-19-11-5-3-10(4-6-11)16-13-7-8-15-9-12(13)14(17)18/h3-9H,2H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-(4-ethoxyanilino)pyridine-3-carboxylic acid?
4-(4-ethoxyanilino)pyridine-3-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81233372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).