2,4-dimethyl-6-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyran-3-carboxamide

C15H12F3NO3 — CID 3244136

IUPAC2,4-dimethyl-6-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NCc1c(F)cc(F)cc1F
InChIInChI=1S/C15H12F3NO3/c1-7-3-13(20)22-8(2)14(7)15(21)19-6-10-11(17)4-9(16)5-12(10)18/h3-5H,6H2,1-2H3,(H,19,21)
InChIKeyALIHKYQHSUEULO-UHFFFAOYSA-N
MW311.26 g/mol
LogP2.60
Rot. Bonds3

About 2,4-dimethyl-6-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyran-3-carboxamide

2,4-dimethyl-6-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyran-3-carboxamide (PubChem CID 3244136) has the molecular formula C15H12F3NO3 and a molecular weight of 311.26 g/mol. Its IUPAC name is 2,4-dimethyl-6-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyran-3-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-6-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyran-3-carboxamide
PubChem CID3244136
Molecular FormulaC15H12F3NO3
Molecular Weight311.26 g/mol
Exact Mass311.08
IUPAC Name2,4-dimethyl-6-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NCc1c(F)cc(F)cc1F
InChIInChI=1S/C15H12F3NO3/c1-7-3-13(20)22-8(2)14(7)15(21)19-6-10-11(17)4-9(16)5-12(10)18/h3-5H,6H2,1-2H3,(H,19,21)
InChIKeyALIHKYQHSUEULO-UHFFFAOYSA-N
XLogP2.60
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-oxo-2H-pyran-5-carboxamide
CID 919232
N-benzyl-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
CID 757690
2,4-dimethyl-N-[(4-methylphenyl)methyl]-6-oxopyran-3-carboxamide
CID 3388683
2-oxo-N-(1-phenylethyl)-2H-pyran-5-carboxamide
CID 660747
4,6-dimethyl-2-oxo-N-(2-phenylethyl)-2H-pyran-5-carboxamide
CID 660877
N-(4-fluorobenzyl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
CID 3243530
N-{2-[benzyl(methyl)amino]ethyl}-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
CID 4299304
N-[2-(4-fluorophenyl)ethyl]-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
CID 919264
N-benzyl-4-hydroxy-6-methyl-2-oxopyran-3-carboxamide
CID 145949519
N-benzyl-N,2,4-trimethyl-6-oxopyran-3-carboxamide
CID 3598422
N-[(2-chlorophenyl)methyl]-2,4-dimethyl-6-oxopyran-3-carboxamide
CID 4299301
N-benzyl-N-ethyl-2,4-dimethyl-6-oxopyran-3-carboxamide
CID 15993069

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyran-3-carboxamide?
The IUPAC name of 2,4-dimethyl-6-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyran-3-carboxamide (CID 3244136) is 2,4-dimethyl-6-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyran-3-carboxamide.
What is the SMILES notation for 2,4-dimethyl-6-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyran-3-carboxamide?
The canonical SMILES for 2,4-dimethyl-6-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyran-3-carboxamide is Cc1cc(=O)oc(C)c1C(=O)NCc1c(F)cc(F)cc1F.
What is the InChIKey of 2,4-dimethyl-6-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyran-3-carboxamide?
The InChIKey is ALIHKYQHSUEULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO3/c1-7-3-13(20)22-8(2)14(7)15(21)19-6-10-11(17)4-9(16)5-12(10)18/h3-5H,6H2,1-2H3,(H,19,21).
What are the key properties of 2,4-dimethyl-6-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyran-3-carboxamide?
2,4-dimethyl-6-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyran-3-carboxamide has a molecular weight of 311.26 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-oxo-N-[(2,4,6-trifluorophenyl)methyl]pyran-3-carboxamide is sourced from PubChem (CID 3244136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).