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'}

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Related Compounds

1-[2,2-Dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one
CID 11723571
1-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-(trifluoromethyl)-3,4-dihydrochromen-4-yl]pyridin-2-one
CID 44333804
Sarakalim
CID 10047015
2,2,3-Trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile
CID 14517985
6-pentafluoroethyl-2,2-bisfluoromethyl-4-(1,2-dihydro-2-oxo-1-pyridyl)-2H-1-benzopyran
CID 21831305
6-cyano-2,2-bisfluoromethyl-4-(1,2-dihydro-2-oxo-1-pyridyl)-2H-1-benzopyran
CID 21831313
2-[[2,2-Dimethyl-4-(2-oxo-1-pyridinyl)chromen-6-yl]methylidene]propanedinitrile
CID 10592446
4-(4-Methoxy-2-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile
CID 14511111
1-(5-Trifluoromethyl-2,2-dimethyl-2H-1-benzopyran-4-yl)piperidin-2-one
CID 44333556
1-[2,2-Dimethyl-3-(methylaminomethyl)-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one
CID 15228747
1-[3-[(Dimethylamino)methyl]-2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one
CID 15228748
1-[3-(Ethylaminomethyl)-2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]pyridin-2-one
CID 15228749

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).