5-[(4-pyridin-3-ylbenzoyl)amino]benzene-1,3-dicarboxylic acid

C20H14N2O5 — CID 146021058

IUPAC5-[(4-pyridin-3-ylbenzoyl)amino]benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2ccc(-c3cccnc3)cc2)cc(C(=O)O)c1
InChIInChI=1S/C20H14N2O5/c23-18(13-5-3-12(4-6-13)14-2-1-7-21-11-14)22-17-9-15(19(24)25)8-16(10-17)20(26)27/h1-11H,(H,22,23)(H,24,25)(H,26,27)
InChIKeyQECRFTGKKVHSKO-UHFFFAOYSA-N
MW362.34 g/mol
LogP3.40
Rot. Bonds5

About 5-[(4-pyridin-3-ylbenzoyl)amino]benzene-1,3-dicarboxylic acid

5-[(4-pyridin-3-ylbenzoyl)amino]benzene-1,3-dicarboxylic acid (PubChem CID 146021058) has the molecular formula C20H14N2O5 and a molecular weight of 362.34 g/mol. Its IUPAC name is 5-[(4-pyridin-3-ylbenzoyl)amino]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-[(4-pyridin-3-ylbenzoyl)amino]benzene-1,3-dicarboxylic acid
PubChem CID146021058
Molecular FormulaC20H14N2O5
Molecular Weight362.34 g/mol
Exact Mass362.09
IUPAC Name5-[(4-pyridin-3-ylbenzoyl)amino]benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2ccc(-c3cccnc3)cc2)cc(C(=O)O)c1
InChIInChI=1S/C20H14N2O5/c23-18(13-5-3-12(4-6-13)14-2-1-7-21-11-14)22-17-9-15(19(24)25)8-16(10-17)20(26)27/h1-11H,(H,22,23)(H,24,25)(H,26,27)
InChIKeyQECRFTGKKVHSKO-UHFFFAOYSA-N
XLogP3.40
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-pyridin-3-ylbenzoic acid;hydrochloride
CID 69483183
N-(3-pyridin-3-ylphenyl)-4-pyrimidin-5-ylbenzamide
CID 25058459
N-(2-hydroxyphenyl)-4-pyridin-3-ylbenzamide
CID 59672983
N-(1H-indol-5-yl)-4-pyridin-3-ylbenzamide
CID 59673715
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666
N-(2-chloro-3-pyridinyl)-4-pyridin-3-ylbenzamide
CID 59673856
3-phenyl-N-pyridin-3-ylbenzamide
CID 110723041
4-phenyl-N-pyridin-4-ylbenzamide;hydrochloride
CID 163329221
N'-(4-bromobenzoyl)-4-pyridin-3-ylbenzohydrazide
CID 58858311
5-[(4-tert-butylbenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 17361859
3-pyridin-3-ylbenzoic acid
CID 2795575
4-fluoro-N-(2-pyridin-3-ylpyrimidin-5-yl)benzamide
CID 137419125

Frequently Asked Questions

What is the IUPAC name of 5-[(4-pyridin-3-ylbenzoyl)amino]benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-[(4-pyridin-3-ylbenzoyl)amino]benzene-1,3-dicarboxylic acid (CID 146021058) is 5-[(4-pyridin-3-ylbenzoyl)amino]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-[(4-pyridin-3-ylbenzoyl)amino]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-[(4-pyridin-3-ylbenzoyl)amino]benzene-1,3-dicarboxylic acid is O=C(O)c1cc(NC(=O)c2ccc(-c3cccnc3)cc2)cc(C(=O)O)c1.
What is the InChIKey of 5-[(4-pyridin-3-ylbenzoyl)amino]benzene-1,3-dicarboxylic acid?
The InChIKey is QECRFTGKKVHSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O5/c23-18(13-5-3-12(4-6-13)14-2-1-7-21-11-14)22-17-9-15(19(24)25)8-16(10-17)20(26)27/h1-11H,(H,22,23)(H,24,25)(H,26,27).
What are the key properties of 5-[(4-pyridin-3-ylbenzoyl)amino]benzene-1,3-dicarboxylic acid?
5-[(4-pyridin-3-ylbenzoyl)amino]benzene-1,3-dicarboxylic acid has a molecular weight of 362.34 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-pyridin-3-ylbenzoyl)amino]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 146021058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).