3,5-bis(pyridine-4-carbonylamino)benzoic acid

C19H14N4O4 — CID 59861562

IUPAC3,5-bis(pyridine-4-carbonylamino)benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2ccncc2)cc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C19H14N4O4/c24-17(12-1-5-20-6-2-12)22-15-9-14(19(26)27)10-16(11-15)23-18(25)13-3-7-21-8-4-13/h1-11H,(H,22,24)(H,23,25)(H,26,27)
InChIKeyRGCWQNBJMLFOQH-UHFFFAOYSA-N
MW362.35 g/mol
LogP2.68
Rot. Bonds5

About 3,5-bis(pyridine-4-carbonylamino)benzoic acid

3,5-bis(pyridine-4-carbonylamino)benzoic acid (PubChem CID 59861562) has the molecular formula C19H14N4O4 and a molecular weight of 362.35 g/mol. Its IUPAC name is 3,5-bis(pyridine-4-carbonylamino)benzoic acid.

Molecular Properties

Compound Name3,5-bis(pyridine-4-carbonylamino)benzoic acid
PubChem CID59861562
Molecular FormulaC19H14N4O4
Molecular Weight362.35 g/mol
Exact Mass362.10
IUPAC Name3,5-bis(pyridine-4-carbonylamino)benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2ccncc2)cc(NC(=O)c2ccncc2)c1
InChIInChI=1S/C19H14N4O4/c24-17(12-1-5-20-6-2-12)22-15-9-14(19(26)27)10-16(11-15)23-18(25)13-3-7-21-8-4-13/h1-11H,(H,22,24)(H,23,25)(H,26,27)
InChIKeyRGCWQNBJMLFOQH-UHFFFAOYSA-N
XLogP2.68
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(pyridine-4-carbonylamino)benzoic acid?
The IUPAC name of 3,5-bis(pyridine-4-carbonylamino)benzoic acid (CID 59861562) is 3,5-bis(pyridine-4-carbonylamino)benzoic acid.
What is the SMILES notation for 3,5-bis(pyridine-4-carbonylamino)benzoic acid?
The canonical SMILES for 3,5-bis(pyridine-4-carbonylamino)benzoic acid is O=C(O)c1cc(NC(=O)c2ccncc2)cc(NC(=O)c2ccncc2)c1.
What is the InChIKey of 3,5-bis(pyridine-4-carbonylamino)benzoic acid?
The InChIKey is RGCWQNBJMLFOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O4/c24-17(12-1-5-20-6-2-12)22-15-9-14(19(26)27)10-16(11-15)23-18(25)13-3-7-21-8-4-13/h1-11H,(H,22,24)(H,23,25)(H,26,27).
What are the key properties of 3,5-bis(pyridine-4-carbonylamino)benzoic acid?
3,5-bis(pyridine-4-carbonylamino)benzoic acid has a molecular weight of 362.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(pyridine-4-carbonylamino)benzoic acid is sourced from PubChem (CID 59861562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).