4-aminobenzoic acid;pyridine-3-carboxamide

C13H13N3O3 — CID 23082444

IUPAC4-aminobenzoic acid;pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1.Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C7H7NO2.C6H6N2O/c8-6-3-1-5(2-4-6)7(9)10;7-6(9)5-2-1-3-8-4-5/h1-4H,8H2,(H,9,10);1-4H,(H2,7,9)
InChIKeyPCQLPDJJIUQASF-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.15
Rot. Bonds2

About 4-aminobenzoic acid;pyridine-3-carboxamide

4-aminobenzoic acid;pyridine-3-carboxamide (PubChem CID 23082444) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 4-aminobenzoic acid;pyridine-3-carboxamide.

Molecular Properties

Compound Name4-aminobenzoic acid;pyridine-3-carboxamide
PubChem CID23082444
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name4-aminobenzoic acid;pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1.Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C7H7NO2.C6H6N2O/c8-6-3-1-5(2-4-6)7(9)10;7-6(9)5-2-1-3-8-4-5/h1-4H,8H2,(H,9,10);1-4H,(H2,7,9)
InChIKeyPCQLPDJJIUQASF-UHFFFAOYSA-N
XLogP1.15
TPSA119.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-carbamoylbenzoic acid;pyridine-3-carboxamide
CID 70159642
benzene;pyridine-3-carboxamide
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CID 69110411
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methane;pyridine-3-carboxamide
CID 19390506
azane;platinum(4+);pyridine-3-carboxamide;dichloride
CID 71548674
butanedioic acid;pyridine-3-carboxamide
CID 159465776
potassium;ethene;pyridine-3-carboxamide
CID 174767244
4-hydroxy-3-methoxybenzoic acid;pyridine-3-carboxamide
CID 139199481
nickel;pyridine-3-carboxylic acid
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CID 157283677
CID 157283677
benzenesulfonic acid;pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-aminobenzoic acid;pyridine-3-carboxamide?
The IUPAC name of 4-aminobenzoic acid;pyridine-3-carboxamide (CID 23082444) is 4-aminobenzoic acid;pyridine-3-carboxamide.
What is the SMILES notation for 4-aminobenzoic acid;pyridine-3-carboxamide?
The canonical SMILES for 4-aminobenzoic acid;pyridine-3-carboxamide is NC(=O)c1cccnc1.Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-aminobenzoic acid;pyridine-3-carboxamide?
The InChIKey is PCQLPDJJIUQASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.C6H6N2O/c8-6-3-1-5(2-4-6)7(9)10;7-6(9)5-2-1-3-8-4-5/h1-4H,8H2,(H,9,10);1-4H,(H2,7,9).
What are the key properties of 4-aminobenzoic acid;pyridine-3-carboxamide?
4-aminobenzoic acid;pyridine-3-carboxamide has a molecular weight of 259.27 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzoic acid;pyridine-3-carboxamide is sourced from PubChem (CID 23082444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).