3-[[[5-(3-hydroxyphenyl)-3-pyridinyl]amino]methyl]benzoic acid

C19H16N2O3 — CID 11537045

IUPAC3-[[[5-(3-hydroxyphenyl)-3-pyridinyl]amino]methyl]benzoic acid
SMILESO=C(O)c1cccc(CNc2cncc(-c3cccc(O)c3)c2)c1
InChIInChI=1S/C19H16N2O3/c22-18-6-2-4-14(9-18)16-8-17(12-20-11-16)21-10-13-3-1-5-15(7-13)19(23)24/h1-9,11-12,21-22H,10H2,(H,23,24)
InChIKeyNMRJPSWISKMGNN-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.76
Rot. Bonds5

About 3-[[[5-(3-hydroxyphenyl)-3-pyridinyl]amino]methyl]benzoic acid

3-[[[5-(3-hydroxyphenyl)-3-pyridinyl]amino]methyl]benzoic acid (PubChem CID 11537045) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-[[[5-(3-hydroxyphenyl)-3-pyridinyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[[5-(3-hydroxyphenyl)-3-pyridinyl]amino]methyl]benzoic acid
PubChem CID11537045
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name3-[[[5-(3-hydroxyphenyl)-3-pyridinyl]amino]methyl]benzoic acid
SMILESO=C(O)c1cccc(CNc2cncc(-c3cccc(O)c3)c2)c1
InChIInChI=1S/C19H16N2O3/c22-18-6-2-4-14(9-18)16-8-17(12-20-11-16)21-10-13-3-1-5-15(7-13)19(23)24/h1-9,11-12,21-22H,10H2,(H,23,24)
InChIKeyNMRJPSWISKMGNN-UHFFFAOYSA-N
XLogP3.76
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(pyridin-3-ylmethylamino)-3-pyridinyl]phenol
CID 68947843
2-[5-[(3-hydroxyphenyl)methylamino]-3-pyridinyl]phenol
CID 68947876
2-anilino-N-[3-[5-(benzylamino)-3-pyridinyl]phenyl]acetamide
CID 166907955
3-[[(5-methyl-3-pyridinyl)amino]methyl]benzamide
CID 103824002
3-[[(6-nitro-3-pyridinyl)amino]methyl]benzoic acid
CID 60894072
3-[(2,4,6-trichloroanilino)methyl]benzoic acid
CID 103236893
3-[[4-(carboxymethyl)anilino]methyl]benzoic acid
CID 82095805
3-[[3-(trifluoromethyl)anilino]methyl]benzoic acid
CID 82095988
3-[[(6-phenylpyrimidin-4-yl)amino]methyl]benzoic acid
CID 108778302
3-[(3-phenylmethoxyphenyl)methylamino]benzoic acid
CID 4987566
3-[[[5-(2,4-dimethoxypyrimidin-5-yl)-3-pyridinyl]amino]methyl]phenol
CID 11976379
3-[(3,4-dicyanoanilino)methyl]benzoic acid
CID 107791372

Frequently Asked Questions

What is the IUPAC name of 3-[[[5-(3-hydroxyphenyl)-3-pyridinyl]amino]methyl]benzoic acid?
The IUPAC name of 3-[[[5-(3-hydroxyphenyl)-3-pyridinyl]amino]methyl]benzoic acid (CID 11537045) is 3-[[[5-(3-hydroxyphenyl)-3-pyridinyl]amino]methyl]benzoic acid.
What is the SMILES notation for 3-[[[5-(3-hydroxyphenyl)-3-pyridinyl]amino]methyl]benzoic acid?
The canonical SMILES for 3-[[[5-(3-hydroxyphenyl)-3-pyridinyl]amino]methyl]benzoic acid is O=C(O)c1cccc(CNc2cncc(-c3cccc(O)c3)c2)c1.
What is the InChIKey of 3-[[[5-(3-hydroxyphenyl)-3-pyridinyl]amino]methyl]benzoic acid?
The InChIKey is NMRJPSWISKMGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-18-6-2-4-14(9-18)16-8-17(12-20-11-16)21-10-13-3-1-5-15(7-13)19(23)24/h1-9,11-12,21-22H,10H2,(H,23,24).
What are the key properties of 3-[[[5-(3-hydroxyphenyl)-3-pyridinyl]amino]methyl]benzoic acid?
3-[[[5-(3-hydroxyphenyl)-3-pyridinyl]amino]methyl]benzoic acid has a molecular weight of 320.35 g/mol, XLogP of 3.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[5-(3-hydroxyphenyl)-3-pyridinyl]amino]methyl]benzoic acid is sourced from PubChem (CID 11537045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).