3-[(3-ethoxycarbonyl-2-pyridinyl)amino]benzoic acid

C15H14N2O4 — CID 43358939

IUPAC3-[(3-ethoxycarbonyl-2-pyridinyl)amino]benzoic acid
SMILESCCOC(=O)c1cccnc1Nc1cccc(C(=O)O)c1
InChIInChI=1S/C15H14N2O4/c1-2-21-15(20)12-7-4-8-16-13(12)17-11-6-3-5-10(9-11)14(18)19/h3-9H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyUWQWOBPPTRJJAK-UHFFFAOYSA-N
MW286.29 g/mol
LogP2.70
Rot. Bonds5

About 3-[(3-ethoxycarbonyl-2-pyridinyl)amino]benzoic acid

3-[(3-ethoxycarbonyl-2-pyridinyl)amino]benzoic acid (PubChem CID 43358939) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-[(3-ethoxycarbonyl-2-pyridinyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(3-ethoxycarbonyl-2-pyridinyl)amino]benzoic acid
PubChem CID43358939
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name3-[(3-ethoxycarbonyl-2-pyridinyl)amino]benzoic acid
SMILESCCOC(=O)c1cccnc1Nc1cccc(C(=O)O)c1
InChIInChI=1S/C15H14N2O4/c1-2-21-15(20)12-7-4-8-16-13(12)17-11-6-3-5-10(9-11)14(18)19/h3-9H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyUWQWOBPPTRJJAK-UHFFFAOYSA-N
XLogP2.70
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-carbamoyl-2-pyridinyl)amino]benzoic acid
CID 43358933
ethyl 2-(3-cyanoanilino)pyridine-3-carboxylate
CID 19085386
ethyl 2-[(3-acetamidobenzoyl)amino]pyridine-3-carboxylate
CID 110439896
ethyl 2-(3-chloro-4-fluoroanilino)pyridine-3-carboxylate
CID 28938472
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757
3-[(5-ethoxycarbonyl-3-pyridinyl)amino]benzoic acid
CID 82535045
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 2373172
ethyl 2-hydrazinylpyridine-3-carboxylate;hydrochloride
CID 146675652
ethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695551
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carboxylate
CID 107849492
3-[(6-ethoxy-3-ethoxycarbonylquinolin-4-yl)amino]benzoic acid
CID 1187193
[2-(ethylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 2365493

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxycarbonyl-2-pyridinyl)amino]benzoic acid?
The IUPAC name of 3-[(3-ethoxycarbonyl-2-pyridinyl)amino]benzoic acid (CID 43358939) is 3-[(3-ethoxycarbonyl-2-pyridinyl)amino]benzoic acid.
What is the SMILES notation for 3-[(3-ethoxycarbonyl-2-pyridinyl)amino]benzoic acid?
The canonical SMILES for 3-[(3-ethoxycarbonyl-2-pyridinyl)amino]benzoic acid is CCOC(=O)c1cccnc1Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(3-ethoxycarbonyl-2-pyridinyl)amino]benzoic acid?
The InChIKey is UWQWOBPPTRJJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-2-21-15(20)12-7-4-8-16-13(12)17-11-6-3-5-10(9-11)14(18)19/h3-9H,2H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(3-ethoxycarbonyl-2-pyridinyl)amino]benzoic acid?
3-[(3-ethoxycarbonyl-2-pyridinyl)amino]benzoic acid has a molecular weight of 286.29 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxycarbonyl-2-pyridinyl)amino]benzoic acid is sourced from PubChem (CID 43358939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).