2-(pyridine-2-carbonylamino)benzoic acid;2-(pyridine-3-carbonylamino)benzoic acid;2-(pyridine-4-carbonylamino)benzoic acid;3-(pyridine-3-carbonylamino)benzoic acid;3-(pyridine-4-carbonylamino)benzoic acid;4-(pyridine-3-carbonylamino)benzoic acid

C78H60N12O18 — CID 158476762

About 2-(pyridine-2-carbonylamino)benzoic acid;2-(pyridine-3-carbonylamino)benzoic acid;2-(pyridine-4-carbonylamino)benzoic acid;3-(pyridine-3-carbonylamino)benzoic acid;3-(pyridine-4-carbonylamino)benzoic acid;4-(pyridine-3-carbonylamino)benzoic acid

2-(pyridine-2-carbonylamino)benzoic acid;2-(pyridine-3-carbonylamino)benzoic acid;2-(pyridine-4-carbonylamino)benzoic acid;3-(pyridine-3-carbonylamino)benzoic acid;3-(pyridine-4-carbonylamino)benzoic acid;4-(pyridine-3-carbonylamino)benzoic acid (PubChem CID 158476762) has the molecular formula C78H60N12O18 and a molecular weight of 1453.40 g/mol. Its IUPAC name is 2-(pyridine-2-carbonylamino)benzoic acid;2-(pyridine-3-carbonylamino)benzoic acid;2-(pyridine-4-carbonylamino)benzoic acid;3-(pyridine-3-carbonylamino)benzoic acid;3-(pyridine-4-carbonylamino)benzoic acid;4-(pyridine-3-carbonylamino)benzoic acid.

Molecular Properties

• Compound Name: 2-(pyridine-2-carbonylamino)benzoic acid;2-(pyridine-3-carbonylamino)benzoic acid;2-(pyridine-4-carbonylamino)benzoic acid;3-(pyridine-3-carbonylamino)benzoic acid;3-(pyridine-4-carbonylamino)benzoic acid;4-(pyridine-3-carbonylamino)benzoic acid
• PubChem CID: 158476762
• Molecular Formula: C78H60N12O18
• Molecular Weight: 1453.40 g/mol
• Exact Mass: 1452.41
• IUPAC Name: 2-(pyridine-2-carbonylamino)benzoic acid;2-(pyridine-3-carbonylamino)benzoic acid;2-(pyridine-4-carbonylamino)benzoic acid;3-(pyridine-3-carbonylamino)benzoic acid;3-(pyridine-4-carbonylamino)benzoic acid;4-(pyridine-3-carbonylamino)benzoic acid
• SMILES: O=C(Nc1ccccc1C(=O)O)c1ccccn1.O=C(Nc1ccccc1C(=O)O)c1cccnc1.O=C(Nc1ccccc1C(=O)O)c1ccncc1.O=C(O)c1ccc(NC(=O)c2cccnc2)cc1.O=C(O)c1cccc(NC(=O)c2cccnc2)c1.O=C(O)c1cccc(NC(=O)c2ccncc2)c1
• InChI: InChI=1S/6C13H10N2O3/c16-12(10-4-2-6-14-8-10)15-11-5-1-3-9(7-11)13(17)18;16-12(10-2-1-7-14-8-10)15-11-5-3-9(4-6-11)13(17)18;16-12(9-4-3-7-14-8-9)15-11-6-2-1-5-10(11)13(17)18;16-12(11-7-3-4-8-14-11)15-10-6-2-1-5-9(10)13(17)18;16-12(9-4-6-14-7-5-9)15-11-3-1-2-10(8-11)13(17)18;16-12(9-5-7-14-8-6-9)15-11-4-2-1-3-10(11)13(17)18/h6*1-8H,(H,15,16)(H,17,18)
• InChIKey: HHANQCSDQLYCHG-UHFFFAOYSA-N
• XLogP: 12.19
• TPSA: 475.74 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1453.40
LogP ≤ 5	12.19
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-(pyridine-2-carbonylamino)benzoic acid;2-(pyridine-3-carbonylamino)benzoic acid;2-(pyridine-4-carbonylamino)benzoic acid;3-(pyridine-3-carbonylamino)benzoic acid;3-(pyridine-4-carbonylamino)benzoic acid;4-(pyridine-3-carbonylamino)benzoic acid?

The IUPAC name of 2-(pyridine-2-carbonylamino)benzoic acid;2-(pyridine-3-carbonylamino)benzoic acid;2-(pyridine-4-carbonylamino)benzoic acid;3-(pyridine-3-carbonylamino)benzoic acid;3-(pyridine-4-carbonylamino)benzoic acid;4-(pyridine-3-carbonylamino)benzoic acid (CID 158476762) is 2-(pyridine-2-carbonylamino)benzoic acid;2-(pyridine-3-carbonylamino)benzoic acid;2-(pyridine-4-carbonylamino)benzoic acid;3-(pyridine-3-carbonylamino)benzoic acid;3-(pyridine-4-carbonylamino)benzoic acid;4-(pyridine-3-carbonylamino)benzoic acid.

What is the SMILES notation for 2-(pyridine-2-carbonylamino)benzoic acid;2-(pyridine-3-carbonylamino)benzoic acid;2-(pyridine-4-carbonylamino)benzoic acid;3-(pyridine-3-carbonylamino)benzoic acid;3-(pyridine-4-carbonylamino)benzoic acid;4-(pyridine-3-carbonylamino)benzoic acid?

The canonical SMILES for 2-(pyridine-2-carbonylamino)benzoic acid;2-(pyridine-3-carbonylamino)benzoic acid;2-(pyridine-4-carbonylamino)benzoic acid;3-(pyridine-3-carbonylamino)benzoic acid;3-(pyridine-4-carbonylamino)benzoic acid;4-(pyridine-3-carbonylamino)benzoic acid is O=C(Nc1ccccc1C(=O)O)c1ccccn1.O=C(Nc1ccccc1C(=O)O)c1cccnc1.O=C(Nc1ccccc1C(=O)O)c1ccncc1.O=C(O)c1ccc(NC(=O)c2cccnc2)cc1.O=C(O)c1cccc(NC(=O)c2cccnc2)c1.O=C(O)c1cccc(NC(=O)c2ccncc2)c1.

What is the InChIKey of 2-(pyridine-2-carbonylamino)benzoic acid;2-(pyridine-3-carbonylamino)benzoic acid;2-(pyridine-4-carbonylamino)benzoic acid;3-(pyridine-3-carbonylamino)benzoic acid;3-(pyridine-4-carbonylamino)benzoic acid;4-(pyridine-3-carbonylamino)benzoic acid?

The InChIKey is HHANQCSDQLYCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/6C13H10N2O3/c16-12(10-4-2-6-14-8-10)15-11-5-1-3-9(7-11)13(17)18;16-12(10-2-1-7-14-8-10)15-11-5-3-9(4-6-11)13(17)18;16-12(9-4-3-7-14-8-9)15-11-6-2-1-5-10(11)13(17)18;16-12(11-7-3-4-8-14-11)15-10-6-2-1-5-9(10)13(17)18;16-12(9-4-6-14-7-5-9)15-11-3-1-2-10(8-11)13(17)18;16-12(9-5-7-14-8-6-9)15-11-4-2-1-3-10(11)13(17)18/h6*1-8H,(H,15,16)(H,17,18).

What are the key properties of 2-(pyridine-2-carbonylamino)benzoic acid;2-(pyridine-3-carbonylamino)benzoic acid;2-(pyridine-4-carbonylamino)benzoic acid;3-(pyridine-3-carbonylamino)benzoic acid;3-(pyridine-4-carbonylamino)benzoic acid;4-(pyridine-3-carbonylamino)benzoic acid?

2-(pyridine-2-carbonylamino)benzoic acid;2-(pyridine-3-carbonylamino)benzoic acid;2-(pyridine-4-carbonylamino)benzoic acid;3-(pyridine-3-carbonylamino)benzoic acid;3-(pyridine-4-carbonylamino)benzoic acid;4-(pyridine-3-carbonylamino)benzoic acid has a molecular weight of 1453.40 g/mol, XLogP of 12.19, 18 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(pyridine-2-carbonylamino)benzoic acid;2-(pyridine-3-carbonylamino)benzoic acid;2-(pyridine-4-carbonylamino)benzoic acid;3-(pyridine-3-carbonylamino)benzoic acid;3-(pyridine-4-carbonylamino)benzoic acid;4-(pyridine-3-carbonylamino)benzoic acid is sourced from PubChem (CID 158476762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).