4-amino-3-phenoxy-2-(pyridine-2-carbonylamino)benzoic acid

C19H15N3O4 — CID 67044172

IUPAC4-amino-3-phenoxy-2-(pyridine-2-carbonylamino)benzoic acid
SMILESNc1ccc(C(=O)O)c(NC(=O)c2ccccn2)c1Oc1ccccc1
InChIInChI=1S/C19H15N3O4/c20-14-10-9-13(19(24)25)16(17(14)26-12-6-2-1-3-7-12)22-18(23)15-8-4-5-11-21-15/h1-11H,20H2,(H,22,23)(H,24,25)
InChIKeyLGQZKCZYYSOCTI-UHFFFAOYSA-N
MW349.35 g/mol
LogP3.41
Rot. Bonds5

About 4-amino-3-phenoxy-2-(pyridine-2-carbonylamino)benzoic acid

4-amino-3-phenoxy-2-(pyridine-2-carbonylamino)benzoic acid (PubChem CID 67044172) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 4-amino-3-phenoxy-2-(pyridine-2-carbonylamino)benzoic acid.

Molecular Properties

Compound Name4-amino-3-phenoxy-2-(pyridine-2-carbonylamino)benzoic acid
PubChem CID67044172
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name4-amino-3-phenoxy-2-(pyridine-2-carbonylamino)benzoic acid
SMILESNc1ccc(C(=O)O)c(NC(=O)c2ccccn2)c1Oc1ccccc1
InChIInChI=1S/C19H15N3O4/c20-14-10-9-13(19(24)25)16(17(14)26-12-6-2-1-3-7-12)22-18(23)15-8-4-5-11-21-15/h1-11H,20H2,(H,22,23)(H,24,25)
InChIKeyLGQZKCZYYSOCTI-UHFFFAOYSA-N
XLogP3.41
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(pyridine-2-carbonylamino)pyridine-3-carboxylic acid
CID 63654263
N-(8-aminoquinolin-5-yl)pyridine-2-carboxamide
CID 104826471
2-ethyl-4-(pyridine-2-carbonylamino)benzoic acid
CID 54055082
3-amino-4-hydroxy-2-(pyridine-2-carbonyloxy)benzoic acid
CID 141300017
gadolinium;pyridine-2-carboxylic acid
CID 175231422
4-(pyridine-2-carbonylamino)benzoic acid
CID 16770258
methyl 4-amino-3-(pyridine-2-carbonylamino)benzoate
CID 110481979
N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295
N-(6-acetyl-2,3-dimethylphenyl)pyridine-2-carboxamide
CID 156785468
1-(2,4-diamino-3-phenoxyphenyl)-2-methoxyethanone
CID 154345418
N-(2,6-diethylphenyl)pyridine-2-carboxamide
CID 19224278
(2-amino-5-hydroxyphenyl)-pyridin-2-ylmethanone
CID 118808080

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-phenoxy-2-(pyridine-2-carbonylamino)benzoic acid?
The IUPAC name of 4-amino-3-phenoxy-2-(pyridine-2-carbonylamino)benzoic acid (CID 67044172) is 4-amino-3-phenoxy-2-(pyridine-2-carbonylamino)benzoic acid.
What is the SMILES notation for 4-amino-3-phenoxy-2-(pyridine-2-carbonylamino)benzoic acid?
The canonical SMILES for 4-amino-3-phenoxy-2-(pyridine-2-carbonylamino)benzoic acid is Nc1ccc(C(=O)O)c(NC(=O)c2ccccn2)c1Oc1ccccc1.
What is the InChIKey of 4-amino-3-phenoxy-2-(pyridine-2-carbonylamino)benzoic acid?
The InChIKey is LGQZKCZYYSOCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c20-14-10-9-13(19(24)25)16(17(14)26-12-6-2-1-3-7-12)22-18(23)15-8-4-5-11-21-15/h1-11H,20H2,(H,22,23)(H,24,25).
What are the key properties of 4-amino-3-phenoxy-2-(pyridine-2-carbonylamino)benzoic acid?
4-amino-3-phenoxy-2-(pyridine-2-carbonylamino)benzoic acid has a molecular weight of 349.35 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-phenoxy-2-(pyridine-2-carbonylamino)benzoic acid is sourced from PubChem (CID 67044172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).