1-[2,2-dimethyl-3-(methylaminomethyl)-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one

C19H19F3N2O2 — CID 15228747

IUPAC1-[2,2-dimethyl-3-(methylaminomethyl)-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one
SMILESCNCC1=C(n2ccccc2=O)c2cc(C(F)(F)F)ccc2OC1(C)C
InChIInChI=1S/C19H19F3N2O2/c1-18(2)14(11-23-3)17(24-9-5-4-6-16(24)25)13-10-12(19(20,21)22)7-8-15(13)26-18/h4-10,23H,11H2,1-3H3
InChIKeyUDWGZGNVJOISPX-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.52
Rot. Bonds3

About 1-[2,2-dimethyl-3-(methylaminomethyl)-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one

1-[2,2-dimethyl-3-(methylaminomethyl)-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one (PubChem CID 15228747) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 1-[2,2-dimethyl-3-(methylaminomethyl)-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[2,2-dimethyl-3-(methylaminomethyl)-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one
PubChem CID15228747
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name1-[2,2-dimethyl-3-(methylaminomethyl)-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one
SMILESCNCC1=C(n2ccccc2=O)c2cc(C(F)(F)F)ccc2OC1(C)C
InChIInChI=1S/C19H19F3N2O2/c1-18(2)14(11-23-3)17(24-9-5-4-6-16(24)25)13-10-12(19(20,21)22)7-8-15(13)26-18/h4-10,23H,11H2,1-3H3
InChIKeyUDWGZGNVJOISPX-UHFFFAOYSA-N
XLogP3.52
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2,2-dimethyl-3-(methylaminomethyl)-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-[2,2-dimethyl-3-(methylaminomethyl)-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one?
The IUPAC name of 1-[2,2-dimethyl-3-(methylaminomethyl)-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one (CID 15228747) is 1-[2,2-dimethyl-3-(methylaminomethyl)-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one.
What is the SMILES notation for 1-[2,2-dimethyl-3-(methylaminomethyl)-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one?
The canonical SMILES for 1-[2,2-dimethyl-3-(methylaminomethyl)-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one is CNCC1=C(n2ccccc2=O)c2cc(C(F)(F)F)ccc2OC1(C)C.
What is the InChIKey of 1-[2,2-dimethyl-3-(methylaminomethyl)-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one?
The InChIKey is UDWGZGNVJOISPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-18(2)14(11-23-3)17(24-9-5-4-6-16(24)25)13-10-12(19(20,21)22)7-8-15(13)26-18/h4-10,23H,11H2,1-3H3.
What are the key properties of 1-[2,2-dimethyl-3-(methylaminomethyl)-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one?
1-[2,2-dimethyl-3-(methylaminomethyl)-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one has a molecular weight of 364.37 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethyl-3-(methylaminomethyl)-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one is sourced from PubChem (CID 15228747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).