4-amino-N-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide

C13H15N3O2 — CID 46837358

IUPAC4-amino-N-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide
SMILESCc1ccc(C)n1NC(=O)c1ccc(N)cc1O
InChIInChI=1S/C13H15N3O2/c1-8-3-4-9(2)16(8)15-13(18)11-6-5-10(14)7-12(11)17/h3-7,17H,14H2,1-2H3,(H,15,18)
InChIKeyRPBYOYPQAFRPSP-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.78
Rot. Bonds2

About 4-amino-N-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide

4-amino-N-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide (PubChem CID 46837358) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-amino-N-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide.

Molecular Properties

Compound Name4-amino-N-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide
PubChem CID46837358
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-amino-N-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide
SMILESCc1ccc(C)n1NC(=O)c1ccc(N)cc1O
InChIInChI=1S/C13H15N3O2/c1-8-3-4-9(2)16(8)15-13(18)11-6-5-10(14)7-12(11)17/h3-7,17H,14H2,1-2H3,(H,15,18)
InChIKeyRPBYOYPQAFRPSP-UHFFFAOYSA-N
XLogP1.78
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide 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

5-amino-2-bromo-N-(2,5-dimethylpyrrol-1-yl)benzamide
CID 115297412
3-amino-N-(2,5-dimethylpyrrol-1-yl)benzamide
CID 78913286
2-amino-N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide
CID 79106798
4-amino-N-(4-aminophenyl)-2-hydroxybenzamide
CID 18931495
2-(2-aminoethyl)-N-(2,5-dimethylpyrrol-1-yl)benzamide
CID 79106240
(2,6-dimethylphenyl) 4-amino-2-hydroxybenzoate
CID 23275051
4-amino-N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-hydroxybenzamide
CID 57406374
ethyl 3-[(4-amino-2-hydroxybenzoyl)amino]propanoate
CID 10015078
2-bromo-N-(2,5-dimethylpyrrol-1-yl)-5-methylbenzamide
CID 81110326
2-(4-aminophenyl)-N-(2,5-dimethylpyrrol-1-yl)-2-methylpropanamide
CID 80556333
4-amino-2-hydroxybenzoic acid;dihydrochloride
CID 140557780
N-[2-[2-[(4-amino-2-hydroxybenzoyl)amino]ethyldisulfanyl]ethyl]-2-hydroxy-4-methylbenzamide
CID 155699714

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide?
The IUPAC name of 4-amino-N-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide (CID 46837358) is 4-amino-N-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide.
What is the SMILES notation for 4-amino-N-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide?
The canonical SMILES for 4-amino-N-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide is Cc1ccc(C)n1NC(=O)c1ccc(N)cc1O.
What is the InChIKey of 4-amino-N-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide?
The InChIKey is RPBYOYPQAFRPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-3-4-9(2)16(8)15-13(18)11-6-5-10(14)7-12(11)17/h3-7,17H,14H2,1-2H3,(H,15,18).
What are the key properties of 4-amino-N-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide?
4-amino-N-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide has a molecular weight of 245.28 g/mol, XLogP of 1.78, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,5-dimethylpyrrol-1-yl)-2-hydroxybenzamide is sourced from PubChem (CID 46837358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).