4-amino-3-hydroxy-N-(1-methylpyrrolidin-3-yl)benzamide

C12H17N3O2 — CID 107074871

IUPAC4-amino-3-hydroxy-N-(1-methylpyrrolidin-3-yl)benzamide
SMILESCN1CCC(NC(=O)c2ccc(N)c(O)c2)C1
InChIInChI=1S/C12H17N3O2/c1-15-5-4-9(7-15)14-12(17)8-2-3-10(13)11(16)6-8/h2-3,6,9,16H,4-5,7,13H2,1H3,(H,14,17)
InChIKeyWZNUUOBRLIXQPF-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.41
Rot. Bonds2

About 4-amino-3-hydroxy-N-(1-methylpyrrolidin-3-yl)benzamide

4-amino-3-hydroxy-N-(1-methylpyrrolidin-3-yl)benzamide (PubChem CID 107074871) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-amino-3-hydroxy-N-(1-methylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-hydroxy-N-(1-methylpyrrolidin-3-yl)benzamide
PubChem CID107074871
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-amino-3-hydroxy-N-(1-methylpyrrolidin-3-yl)benzamide
SMILESCN1CCC(NC(=O)c2ccc(N)c(O)c2)C1
InChIInChI=1S/C12H17N3O2/c1-15-5-4-9(7-15)14-12(17)8-2-3-10(13)11(16)6-8/h2-3,6,9,16H,4-5,7,13H2,1H3,(H,14,17)
InChIKeyWZNUUOBRLIXQPF-UHFFFAOYSA-N
XLogP0.41
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-3-hydroxy-N-(1-methylpyrrolidin-3-yl)benzamide 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-amino-3-hydroxy-N-(1-methylpiperidin-4-yl)benzamide
CID 89070568
4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373277
4-amino-N-(4-ethylcyclohexyl)-3-hydroxybenzamide
CID 107074880
3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110737599
3-amino-4-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 61211762
4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47368477
4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide
CID 89186292
[2-amino-5-[(1-methylpiperidin-3-yl)carbamoyl]phenyl] carbamate
CID 150279764
3-bromo-N-(1-methylpyrrolidin-3-yl)benzamide
CID 61342409
2,4-diamino-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949912
4-amino-3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 63185966
3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110473062

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxy-N-(1-methylpyrrolidin-3-yl)benzamide?
The IUPAC name of 4-amino-3-hydroxy-N-(1-methylpyrrolidin-3-yl)benzamide (CID 107074871) is 4-amino-3-hydroxy-N-(1-methylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 4-amino-3-hydroxy-N-(1-methylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 4-amino-3-hydroxy-N-(1-methylpyrrolidin-3-yl)benzamide is CN1CCC(NC(=O)c2ccc(N)c(O)c2)C1.
What is the InChIKey of 4-amino-3-hydroxy-N-(1-methylpyrrolidin-3-yl)benzamide?
The InChIKey is WZNUUOBRLIXQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15-5-4-9(7-15)14-12(17)8-2-3-10(13)11(16)6-8/h2-3,6,9,16H,4-5,7,13H2,1H3,(H,14,17).
What are the key properties of 4-amino-3-hydroxy-N-(1-methylpyrrolidin-3-yl)benzamide?
4-amino-3-hydroxy-N-(1-methylpyrrolidin-3-yl)benzamide has a molecular weight of 235.29 g/mol, XLogP of 0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxy-N-(1-methylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 107074871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).