4-[4-(pyridin-3-ylmethoxy)anilino]benzoic acid

C19H16N2O3 — CID 70036759

IUPAC4-[4-(pyridin-3-ylmethoxy)anilino]benzoic acid
SMILESO=C(O)c1ccc(Nc2ccc(OCc3cccnc3)cc2)cc1
InChIInChI=1S/C19H16N2O3/c22-19(23)15-3-5-16(6-4-15)21-17-7-9-18(10-8-17)24-13-14-2-1-11-20-12-14/h1-12,21H,13H2,(H,22,23)
InChIKeyADPQEVDCJUDDIS-UHFFFAOYSA-N
MW320.35 g/mol
LogP4.10
Rot. Bonds6

About 4-[4-(pyridin-3-ylmethoxy)anilino]benzoic acid

4-[4-(pyridin-3-ylmethoxy)anilino]benzoic acid (PubChem CID 70036759) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-[4-(pyridin-3-ylmethoxy)anilino]benzoic acid.

Molecular Properties

Compound Name4-[4-(pyridin-3-ylmethoxy)anilino]benzoic acid
PubChem CID70036759
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name4-[4-(pyridin-3-ylmethoxy)anilino]benzoic acid
SMILESO=C(O)c1ccc(Nc2ccc(OCc3cccnc3)cc2)cc1
InChIInChI=1S/C19H16N2O3/c22-19(23)15-3-5-16(6-4-15)21-17-7-9-18(10-8-17)24-13-14-2-1-11-20-12-14/h1-12,21H,13H2,(H,22,23)
InChIKeyADPQEVDCJUDDIS-UHFFFAOYSA-N
XLogP4.10
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide
CID 112988913
4-(pyridin-3-ylmethoxy)benzoate
CID 40981209
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
4-(pyridin-3-ylamino)benzoic acid
CID 62231528
N-(2-anilino-2-oxoethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 166190877
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
4-phenylmethoxybenzoic acid
CID 68896574
4-iodo-3-(pyridin-3-ylmethoxy)benzoic acid
CID 114103651
2-[4-(pyridin-3-ylmethoxy)phenoxy]acetamide
CID 47294468
1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110706294
4-phenyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 46476162
4-[2-[methyl(pyridin-3-ylmethyl)amino]ethoxy]benzoic acid
CID 43563550

Frequently Asked Questions

What is the IUPAC name of 4-[4-(pyridin-3-ylmethoxy)anilino]benzoic acid?
The IUPAC name of 4-[4-(pyridin-3-ylmethoxy)anilino]benzoic acid (CID 70036759) is 4-[4-(pyridin-3-ylmethoxy)anilino]benzoic acid.
What is the SMILES notation for 4-[4-(pyridin-3-ylmethoxy)anilino]benzoic acid?
The canonical SMILES for 4-[4-(pyridin-3-ylmethoxy)anilino]benzoic acid is O=C(O)c1ccc(Nc2ccc(OCc3cccnc3)cc2)cc1.
What is the InChIKey of 4-[4-(pyridin-3-ylmethoxy)anilino]benzoic acid?
The InChIKey is ADPQEVDCJUDDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-19(23)15-3-5-16(6-4-15)21-17-7-9-18(10-8-17)24-13-14-2-1-11-20-12-14/h1-12,21H,13H2,(H,22,23).
What are the key properties of 4-[4-(pyridin-3-ylmethoxy)anilino]benzoic acid?
4-[4-(pyridin-3-ylmethoxy)anilino]benzoic acid has a molecular weight of 320.35 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(pyridin-3-ylmethoxy)anilino]benzoic acid is sourced from PubChem (CID 70036759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).