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

C20H21F3N2O2 — CID 15228748

IUPAC1-[3-[(dimethylamino)methyl]-2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one
SMILESCN(C)CC1=C(n2ccccc2=O)c2cc(C(F)(F)F)ccc2OC1(C)C
InChIInChI=1S/C20H21F3N2O2/c1-19(2)15(12-24(3)4)18(25-10-6-5-7-17(25)26)14-11-13(20(21,22)23)8-9-16(14)27-19/h5-11H,12H2,1-4H3
InChIKeyJLNSUXMFWATYBK-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.86
Rot. Bonds3

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

1-[3-[(dimethylamino)methyl]-2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one (PubChem CID 15228748) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]-2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-[(dimethylamino)methyl]-2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one
PubChem CID15228748
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name1-[3-[(dimethylamino)methyl]-2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one
SMILESCN(C)CC1=C(n2ccccc2=O)c2cc(C(F)(F)F)ccc2OC1(C)C
InChIInChI=1S/C20H21F3N2O2/c1-19(2)15(12-24(3)4)18(25-10-6-5-7-17(25)26)14-11-13(20(21,22)23)8-9-16(14)27-19/h5-11H,12H2,1-4H3
InChIKeyJLNSUXMFWATYBK-UHFFFAOYSA-N
XLogP3.86
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]-2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one?
The IUPAC name of 1-[3-[(dimethylamino)methyl]-2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one (CID 15228748) is 1-[3-[(dimethylamino)methyl]-2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one.
What is the SMILES notation for 1-[3-[(dimethylamino)methyl]-2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one?
The canonical SMILES for 1-[3-[(dimethylamino)methyl]-2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one is CN(C)CC1=C(n2ccccc2=O)c2cc(C(F)(F)F)ccc2OC1(C)C.
What is the InChIKey of 1-[3-[(dimethylamino)methyl]-2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one?
The InChIKey is JLNSUXMFWATYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-19(2)15(12-24(3)4)18(25-10-6-5-7-17(25)26)14-11-13(20(21,22)23)8-9-16(14)27-19/h5-11H,12H2,1-4H3.
What are the key properties of 1-[3-[(dimethylamino)methyl]-2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one?
1-[3-[(dimethylamino)methyl]-2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one has a molecular weight of 378.39 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(dimethylamino)methyl]-2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one is sourced from PubChem (CID 15228748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).