1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one

C20H21F3N2O3 — CID 150989183

IUPAC1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one
SMILESCON(C)C1=C(n2ccccc2=O)c2c(ccc(C(F)(F)F)c2C)OC1(C)C
InChIInChI=1S/C20H21F3N2O3/c1-12-13(20(21,22)23)9-10-14-16(12)17(25-11-7-6-8-15(25)26)18(24(4)27-5)19(2,3)28-14/h6-11H,1-5H3
InChIKeyLRTCLWKDFWOMIV-UHFFFAOYSA-N
MW394.39 g/mol
LogP4.06
Rot. Bonds3

About 1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one

1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one (PubChem CID 150989183) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is 1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one
PubChem CID150989183
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC Name1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one
SMILESCON(C)C1=C(n2ccccc2=O)c2c(ccc(C(F)(F)F)c2C)OC1(C)C
InChIInChI=1S/C20H21F3N2O3/c1-12-13(20(21,22)23)9-10-14-16(12)17(25-11-7-6-8-15(25)26)18(24(4)27-5)19(2,3)28-14/h6-11H,1-5H3
InChIKeyLRTCLWKDFWOMIV-UHFFFAOYSA-N
XLogP4.06
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-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 1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one?
The IUPAC name of 1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one (CID 150989183) is 1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one.
What is the SMILES notation for 1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one?
The canonical SMILES for 1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one is CON(C)C1=C(n2ccccc2=O)c2c(ccc(C(F)(F)F)c2C)OC1(C)C.
What is the InChIKey of 1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one?
The InChIKey is LRTCLWKDFWOMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c1-12-13(20(21,22)23)9-10-14-16(12)17(25-11-7-6-8-15(25)26)18(24(4)27-5)19(2,3)28-14/h6-11H,1-5H3.
What are the key properties of 1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one?
1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one has a molecular weight of 394.39 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[methoxy(methyl)amino]-2,2,5-trimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one is sourced from PubChem (CID 150989183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).