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

C20H21F3N2O2 — CID 15228749

IUPAC1-[3-(ethylaminomethyl)-2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one
SMILESCCNCC1=C(n2ccccc2=O)c2cc(C(F)(F)F)ccc2OC1(C)C
InChIInChI=1S/C20H21F3N2O2/c1-4-24-12-15-18(25-10-6-5-7-17(25)26)14-11-13(20(21,22)23)8-9-16(14)27-19(15,2)3/h5-11,24H,4,12H2,1-3H3
InChIKeyUYJXTYHASQDTED-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.91
Rot. Bonds4

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

1-[3-(ethylaminomethyl)-2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one (PubChem CID 15228749) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 1-[3-(ethylaminomethyl)-2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-(ethylaminomethyl)-2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one
PubChem CID15228749
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name1-[3-(ethylaminomethyl)-2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one
SMILESCCNCC1=C(n2ccccc2=O)c2cc(C(F)(F)F)ccc2OC1(C)C
InChIInChI=1S/C20H21F3N2O2/c1-4-24-12-15-18(25-10-6-5-7-17(25)26)14-11-13(20(21,22)23)8-9-16(14)27-19(15,2)3/h5-11,24H,4,12H2,1-3H3
InChIKeyUYJXTYHASQDTED-UHFFFAOYSA-N
XLogP3.91
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylaminomethyl)-2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one?
The IUPAC name of 1-[3-(ethylaminomethyl)-2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one (CID 15228749) is 1-[3-(ethylaminomethyl)-2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one.
What is the SMILES notation for 1-[3-(ethylaminomethyl)-2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one?
The canonical SMILES for 1-[3-(ethylaminomethyl)-2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one is CCNCC1=C(n2ccccc2=O)c2cc(C(F)(F)F)ccc2OC1(C)C.
What is the InChIKey of 1-[3-(ethylaminomethyl)-2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one?
The InChIKey is UYJXTYHASQDTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-4-24-12-15-18(25-10-6-5-7-17(25)26)14-11-13(20(21,22)23)8-9-16(14)27-19(15,2)3/h5-11,24H,4,12H2,1-3H3.
What are the key properties of 1-[3-(ethylaminomethyl)-2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one?
1-[3-(ethylaminomethyl)-2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one has a molecular weight of 378.39 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylaminomethyl)-2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one is sourced from PubChem (CID 15228749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).