3-(6-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-methylpyridin-2-one

C17H20N2O3 — CID 14857380

IUPAC3-(6-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-methylpyridin-2-one
SMILESCn1cccc(C2c3cc(N)ccc3OC(C)(C)C2O)c1=O
InChIInChI=1S/C17H20N2O3/c1-17(2)15(20)14(11-5-4-8-19(3)16(11)21)12-9-10(18)6-7-13(12)22-17/h4-9,14-15,20H,18H2,1-3H3
InChIKeyCTTLTGIORRXYOV-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.63
Rot. Bonds1

About 3-(6-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-methylpyridin-2-one

3-(6-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-methylpyridin-2-one (PubChem CID 14857380) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(6-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-(6-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-methylpyridin-2-one
PubChem CID14857380
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name3-(6-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-methylpyridin-2-one
SMILESCn1cccc(C2c3cc(N)ccc3OC(C)(C)C2O)c1=O
InChIInChI=1S/C17H20N2O3/c1-17(2)15(20)14(11-5-4-8-19(3)16(11)21)12-9-10(18)6-7-13(12)22-17/h4-9,14-15,20H,18H2,1-3H3
InChIKeyCTTLTGIORRXYOV-UHFFFAOYSA-N
XLogP1.63
TPSA77.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(6-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-methylpyridin-2-one 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 3-(6-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-methylpyridin-2-one?
The IUPAC name of 3-(6-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-methylpyridin-2-one (CID 14857380) is 3-(6-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-methylpyridin-2-one.
What is the SMILES notation for 3-(6-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-methylpyridin-2-one?
The canonical SMILES for 3-(6-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-methylpyridin-2-one is Cn1cccc(C2c3cc(N)ccc3OC(C)(C)C2O)c1=O.
What is the InChIKey of 3-(6-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-methylpyridin-2-one?
The InChIKey is CTTLTGIORRXYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-17(2)15(20)14(11-5-4-8-19(3)16(11)21)12-9-10(18)6-7-13(12)22-17/h4-9,14-15,20H,18H2,1-3H3.
What are the key properties of 3-(6-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-methylpyridin-2-one?
3-(6-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-methylpyridin-2-one has a molecular weight of 300.36 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-methylpyridin-2-one is sourced from PubChem (CID 14857380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).