5-hydroxy-2-(pyridin-2-ylmethylcarbamoylamino)benzoic acid

C14H13N3O4 — CID 61405707

IUPAC5-hydroxy-2-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
SMILESO=C(NCc1ccccn1)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C14H13N3O4/c18-10-4-5-12(11(7-10)13(19)20)17-14(21)16-8-9-3-1-2-6-15-9/h1-7,18H,8H2,(H,19,20)(H2,16,17,21)
InChIKeyNKEDECUZSVERJY-UHFFFAOYSA-N
MW287.27 g/mol
LogP1.81
Rot. Bonds4

About 5-hydroxy-2-(pyridin-2-ylmethylcarbamoylamino)benzoic acid

5-hydroxy-2-(pyridin-2-ylmethylcarbamoylamino)benzoic acid (PubChem CID 61405707) has the molecular formula C14H13N3O4 and a molecular weight of 287.27 g/mol. Its IUPAC name is 5-hydroxy-2-(pyridin-2-ylmethylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
PubChem CID61405707
Molecular FormulaC14H13N3O4
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name5-hydroxy-2-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
SMILESO=C(NCc1ccccn1)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C14H13N3O4/c18-10-4-5-12(11(7-10)13(19)20)17-14(21)16-8-9-3-1-2-6-15-9/h1-7,18H,8H2,(H,19,20)(H2,16,17,21)
InChIKeyNKEDECUZSVERJY-UHFFFAOYSA-N
XLogP1.81
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
CID 61191580
2-fluoro-5-(pyridin-2-ylmethylcarbamoylamino)benzoic acid
CID 61191402
1-(2-chloro-4-propan-2-yloxyphenyl)-3-(pyridin-2-ylmethyl)urea
CID 99823700
2-methyl-5-[(pyridin-2-ylmethylcarbamoylamino)methyl]furan-3-carboxylic acid
CID 61189375
5-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid
CID 62074818
2-(2-amino-5-hydroxyphenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 69335780
5-hydroxy-2-[[2-(2-methylphenyl)acetyl]amino]benzoic acid
CID 61406202
2-[(4-amino-4-oxobutyl)carbamoylamino]-5-hydroxybenzoic acid
CID 61406098
2-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 783556
5-hydroxy-N-(pyridin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide
CID 13037178
N-[2-(pyridin-2-ylmethylcarbamoylamino)-4-pyridinyl]pyridine-2-carboxamide
CID 66971557
2-methyl-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]propanamide
CID 47126081

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(pyridin-2-ylmethylcarbamoylamino)benzoic acid?
The IUPAC name of 5-hydroxy-2-(pyridin-2-ylmethylcarbamoylamino)benzoic acid (CID 61405707) is 5-hydroxy-2-(pyridin-2-ylmethylcarbamoylamino)benzoic acid.
What is the SMILES notation for 5-hydroxy-2-(pyridin-2-ylmethylcarbamoylamino)benzoic acid?
The canonical SMILES for 5-hydroxy-2-(pyridin-2-ylmethylcarbamoylamino)benzoic acid is O=C(NCc1ccccn1)Nc1ccc(O)cc1C(=O)O.
What is the InChIKey of 5-hydroxy-2-(pyridin-2-ylmethylcarbamoylamino)benzoic acid?
The InChIKey is NKEDECUZSVERJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-10-4-5-12(11(7-10)13(19)20)17-14(21)16-8-9-3-1-2-6-15-9/h1-7,18H,8H2,(H,19,20)(H2,16,17,21).
What are the key properties of 5-hydroxy-2-(pyridin-2-ylmethylcarbamoylamino)benzoic acid?
5-hydroxy-2-(pyridin-2-ylmethylcarbamoylamino)benzoic acid has a molecular weight of 287.27 g/mol, XLogP of 1.81, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(pyridin-2-ylmethylcarbamoylamino)benzoic acid is sourced from PubChem (CID 61405707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).