5-amino-6-(4-ethoxyanilino)pyridine-2-carboxylic acid

C14H15N3O3 — CID 114404993

IUPAC5-amino-6-(4-ethoxyanilino)pyridine-2-carboxylic acid
SMILESCCOc1ccc(Nc2nc(C(=O)O)ccc2N)cc1
InChIInChI=1S/C14H15N3O3/c1-2-20-10-5-3-9(4-6-10)16-13-11(15)7-8-12(17-13)14(18)19/h3-8H,2,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyBCGGATQCTVHZOJ-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.50
Rot. Bonds5

About 5-amino-6-(4-ethoxyanilino)pyridine-2-carboxylic acid

5-amino-6-(4-ethoxyanilino)pyridine-2-carboxylic acid (PubChem CID 114404993) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-amino-6-(4-ethoxyanilino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-(4-ethoxyanilino)pyridine-2-carboxylic acid
PubChem CID114404993
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name5-amino-6-(4-ethoxyanilino)pyridine-2-carboxylic acid
SMILESCCOc1ccc(Nc2nc(C(=O)O)ccc2N)cc1
InChIInChI=1S/C14H15N3O3/c1-2-20-10-5-3-9(4-6-10)16-13-11(15)7-8-12(17-13)14(18)19/h3-8H,2,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyBCGGATQCTVHZOJ-UHFFFAOYSA-N
XLogP2.50
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-[4-(dimethylamino)anilino]pyridine-2-carboxylic acid
CID 114405561
5-amino-6-[(6-methyl-3-pyridinyl)amino]pyridine-2-carboxylic acid
CID 114407286
methyl 5-amino-6-(4-methoxyanilino)pyridine-2-carboxylate
CID 114404918
4-[[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]amino]benzoic acid
CID 19149280
methyl 5-amino-6-[(6-ethoxy-3-pyridinyl)amino]pyridine-2-carboxylate
CID 114407156
2-amino-4-(4-ethoxyanilino)benzoic acid
CID 104500077
4-(4-ethoxyanilino)pyridine-2-carboxylic acid
CID 43326061
4-N-(4-ethoxyphenyl)benzene-1,2,4-triamine
CID 106750281
4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 19147676
methyl 5-amino-6-(4-chloroanilino)pyridine-2-carboxylate
CID 114405170
5-amino-6-(3-bromo-4-chloroanilino)pyridine-2-carboxylic acid
CID 114407056
5-amino-6-(4-bromo-3-chloroanilino)pyridine-2-carboxylic acid
CID 107615648

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(4-ethoxyanilino)pyridine-2-carboxylic acid?
The IUPAC name of 5-amino-6-(4-ethoxyanilino)pyridine-2-carboxylic acid (CID 114404993) is 5-amino-6-(4-ethoxyanilino)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-6-(4-ethoxyanilino)pyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-6-(4-ethoxyanilino)pyridine-2-carboxylic acid is CCOc1ccc(Nc2nc(C(=O)O)ccc2N)cc1.
What is the InChIKey of 5-amino-6-(4-ethoxyanilino)pyridine-2-carboxylic acid?
The InChIKey is BCGGATQCTVHZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-20-10-5-3-9(4-6-10)16-13-11(15)7-8-12(17-13)14(18)19/h3-8H,2,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-amino-6-(4-ethoxyanilino)pyridine-2-carboxylic acid?
5-amino-6-(4-ethoxyanilino)pyridine-2-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(4-ethoxyanilino)pyridine-2-carboxylic acid is sourced from PubChem (CID 114404993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).