3-(pyridine-3-carbonylamino)benzoic acid

C13H10N2O3 — CID 1132617

IUPAC3-(pyridine-3-carbonylamino)benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C13H10N2O3/c16-12(10-4-2-6-14-8-10)15-11-5-1-3-9(7-11)13(17)18/h1-8H,(H,15,16)(H,17,18)
InChIKeyZPXHGRCNSBEEOL-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.03
Rot. Bonds3

About 3-(pyridine-3-carbonylamino)benzoic acid

3-(pyridine-3-carbonylamino)benzoic acid (PubChem CID 1132617) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-(pyridine-3-carbonylamino)benzoic acid.

Molecular Properties

Compound Name3-(pyridine-3-carbonylamino)benzoic acid
PubChem CID1132617
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name3-(pyridine-3-carbonylamino)benzoic acid
SMILESO=C(O)c1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C13H10N2O3/c16-12(10-4-2-6-14-8-10)15-11-5-1-3-9(7-11)13(17)18/h1-8H,(H,15,16)(H,17,18)
InChIKeyZPXHGRCNSBEEOL-UHFFFAOYSA-N
XLogP2.03
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(pyridine-3-carbonylamino)benzoic acid?
The IUPAC name of 3-(pyridine-3-carbonylamino)benzoic acid (CID 1132617) is 3-(pyridine-3-carbonylamino)benzoic acid.
What is the SMILES notation for 3-(pyridine-3-carbonylamino)benzoic acid?
The canonical SMILES for 3-(pyridine-3-carbonylamino)benzoic acid is O=C(O)c1cccc(NC(=O)c2cccnc2)c1.
What is the InChIKey of 3-(pyridine-3-carbonylamino)benzoic acid?
The InChIKey is ZPXHGRCNSBEEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c16-12(10-4-2-6-14-8-10)15-11-5-1-3-9(7-11)13(17)18/h1-8H,(H,15,16)(H,17,18).
What are the key properties of 3-(pyridine-3-carbonylamino)benzoic acid?
3-(pyridine-3-carbonylamino)benzoic acid has a molecular weight of 242.23 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridine-3-carbonylamino)benzoic acid is sourced from PubChem (CID 1132617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).