4-amino-1-hydroxy-N,N-dimethylnaphthalene-2-carboxamide

C13H14N2O2 — CID 14127490

IUPAC4-amino-1-hydroxy-N,N-dimethylnaphthalene-2-carboxamide
SMILESCN(C)C(=O)c1cc(N)c2ccccc2c1O
InChIInChI=1S/C13H14N2O2/c1-15(2)13(17)10-7-11(14)8-5-3-4-6-9(8)12(10)16/h3-7,16H,14H2,1-2H3
InChIKeyKJIBJKDTICVZGG-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.83
Rot. Bonds1

About 4-amino-1-hydroxy-N,N-dimethylnaphthalene-2-carboxamide

4-amino-1-hydroxy-N,N-dimethylnaphthalene-2-carboxamide (PubChem CID 14127490) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-amino-1-hydroxy-N,N-dimethylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-hydroxy-N,N-dimethylnaphthalene-2-carboxamide
PubChem CID14127490
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name4-amino-1-hydroxy-N,N-dimethylnaphthalene-2-carboxamide
SMILESCN(C)C(=O)c1cc(N)c2ccccc2c1O
InChIInChI=1S/C13H14N2O2/c1-15(2)13(17)10-7-11(14)8-5-3-4-6-9(8)12(10)16/h3-7,16H,14H2,1-2H3
InChIKeyKJIBJKDTICVZGG-UHFFFAOYSA-N
XLogP1.83
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-1-hydroxy-N,N-dimethylnaphthalene-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-hydroxy-N,N-dimethylnaphthalene-2-carboxamide?
The IUPAC name of 4-amino-1-hydroxy-N,N-dimethylnaphthalene-2-carboxamide (CID 14127490) is 4-amino-1-hydroxy-N,N-dimethylnaphthalene-2-carboxamide.
What is the SMILES notation for 4-amino-1-hydroxy-N,N-dimethylnaphthalene-2-carboxamide?
The canonical SMILES for 4-amino-1-hydroxy-N,N-dimethylnaphthalene-2-carboxamide is CN(C)C(=O)c1cc(N)c2ccccc2c1O.
What is the InChIKey of 4-amino-1-hydroxy-N,N-dimethylnaphthalene-2-carboxamide?
The InChIKey is KJIBJKDTICVZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-15(2)13(17)10-7-11(14)8-5-3-4-6-9(8)12(10)16/h3-7,16H,14H2,1-2H3.
What are the key properties of 4-amino-1-hydroxy-N,N-dimethylnaphthalene-2-carboxamide?
4-amino-1-hydroxy-N,N-dimethylnaphthalene-2-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-hydroxy-N,N-dimethylnaphthalene-2-carboxamide is sourced from PubChem (CID 14127490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).