4-[2-hydroxyethyl(pyrimidine-5-carbonyl)amino]benzoic acid

C14H13N3O4 — CID 102921417

IUPAC4-[2-hydroxyethyl(pyrimidine-5-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(N(CCO)C(=O)c2cncnc2)cc1
InChIInChI=1S/C14H13N3O4/c18-6-5-17(13(19)11-7-15-9-16-8-11)12-3-1-10(2-4-12)14(20)21/h1-4,7-9,18H,5-6H2,(H,20,21)
InChIKeyPRRQMUAWZYPWBK-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.81
Rot. Bonds5

About 4-[2-hydroxyethyl(pyrimidine-5-carbonyl)amino]benzoic acid

4-[2-hydroxyethyl(pyrimidine-5-carbonyl)amino]benzoic acid (PubChem CID 102921417) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(pyrimidine-5-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[2-hydroxyethyl(pyrimidine-5-carbonyl)amino]benzoic acid
PubChem CID102921417
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name4-[2-hydroxyethyl(pyrimidine-5-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(N(CCO)C(=O)c2cncnc2)cc1
InChIInChI=1S/C14H13N3O4/c18-6-5-17(13(19)11-7-15-9-16-8-11)12-3-1-10(2-4-12)14(20)21/h1-4,7-9,18H,5-6H2,(H,20,21)
InChIKeyPRRQMUAWZYPWBK-UHFFFAOYSA-N
XLogP0.81
TPSA103.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-hydroxyethyl(pyrimidine-5-carbonyl)amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-hydroxyethyl(prop-2-enoyl)amino]benzoic acid
CID 60832777
4-[2-hydroxyethyl(thiadiazole-4-carbonyl)amino]benzoic acid
CID 65214077
4-[2-hydroxyethyl(3-methylbut-2-enoyl)amino]benzoic acid
CID 60832607
4-[2-aminoethylcarbamoyl(2-hydroxyethyl)amino]benzoic acid
CID 61403137
4-[2-hydroxyethyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 60831265
4-[(5-bromothiophene-2-carbonyl)-(2-hydroxyethyl)amino]benzoic acid
CID 60831262
bis(2-[bis(2-hydroxyethyl)amino]ethanol);terephthalic acid
CID 173440461
4-[(4-bromo-1H-pyrrole-2-carbonyl)-(2-hydroxyethyl)amino]benzoic acid
CID 60831427
4-[2-hydroxyethyl(piperazine-1-carbonyl)amino]benzoic acid
CID 61405513
4-[2-hydroxyethyl-[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid
CID 61428084
4-[butyl-(4-methylbenzoyl)amino]benzoic acid
CID 20787968
4-[2-hydroxyethyl(3-propoxypropanoyl)amino]benzoic acid
CID 62715793

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(pyrimidine-5-carbonyl)amino]benzoic acid?
The IUPAC name of 4-[2-hydroxyethyl(pyrimidine-5-carbonyl)amino]benzoic acid (CID 102921417) is 4-[2-hydroxyethyl(pyrimidine-5-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[2-hydroxyethyl(pyrimidine-5-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-[2-hydroxyethyl(pyrimidine-5-carbonyl)amino]benzoic acid is O=C(O)c1ccc(N(CCO)C(=O)c2cncnc2)cc1.
What is the InChIKey of 4-[2-hydroxyethyl(pyrimidine-5-carbonyl)amino]benzoic acid?
The InChIKey is PRRQMUAWZYPWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-6-5-17(13(19)11-7-15-9-16-8-11)12-3-1-10(2-4-12)14(20)21/h1-4,7-9,18H,5-6H2,(H,20,21).
What are the key properties of 4-[2-hydroxyethyl(pyrimidine-5-carbonyl)amino]benzoic acid?
4-[2-hydroxyethyl(pyrimidine-5-carbonyl)amino]benzoic acid has a molecular weight of 287.28 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(pyrimidine-5-carbonyl)amino]benzoic acid is sourced from PubChem (CID 102921417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).