(5S,6R)-N,N-dimethyl-4-methylidene-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide

C15H16F3N3O2 — CID 2375857

IUPAC(5S,6R)-N,N-dimethyl-4-methylidene-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide
SMILESC=C1NC(=O)N[C@@H](c2ccccc2C(F)(F)F)[C@@H]1C(=O)N(C)C
InChIInChI=1S/C15H16F3N3O2/c1-8-11(13(22)21(2)3)12(20-14(23)19-8)9-6-4-5-7-10(9)15(16,17)18/h4-7,11-12H,1H2,2-3H3,(H2,19,20,23)/t11-,12+/m1/s1
InChIKeyKSJGGLMNMTYHPF-NEPJUHHUSA-N
MW327.31 g/mol
LogP2.28
Rot. Bonds2

About (5S,6R)-N,N-dimethyl-4-methylidene-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide

(5S,6R)-N,N-dimethyl-4-methylidene-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide (PubChem CID 2375857) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is (5S,6R)-N,N-dimethyl-4-methylidene-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide.

Molecular Properties

Compound Name(5S,6R)-N,N-dimethyl-4-methylidene-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide
PubChem CID2375857
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name(5S,6R)-N,N-dimethyl-4-methylidene-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide
SMILESC=C1NC(=O)N[C@@H](c2ccccc2C(F)(F)F)[C@@H]1C(=O)N(C)C
InChIInChI=1S/C15H16F3N3O2/c1-8-11(13(22)21(2)3)12(20-14(23)19-8)9-6-4-5-7-10(9)15(16,17)18/h4-7,11-12H,1H2,2-3H3,(H2,19,20,23)/t11-,12+/m1/s1
InChIKeyKSJGGLMNMTYHPF-NEPJUHHUSA-N
XLogP2.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5S,6R)-N,N-dimethyl-4-methylidene-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide with MolForge

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Related Compounds

(5R,6R)-5-benzoyl-4-methylidene-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 2392565
(5R,6R)-4-methylidene-5-(morpholine-4-carbonyl)-6-[2-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 2377275
(4S,5R)-4-(2-chlorophenyl)-6-methylidene-2-oxo-N-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide
CID 2445241
4-(2-fluorophenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxamide
CID 3567102
(4R,5R)-4-(2,4-dimethylphenyl)-6-methylidene-2-oxo-N-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide
CID 2422962
(5S,6R)-5-acetyl-4-methylidene-6-(2-propoxyphenyl)-1,3-diazinan-2-one
CID 2169550
(5S,6R)-4-methylidene-2-oxo-6-(4-propan-2-ylphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide
CID 2430107
(5S,6S)-N-(3,4-difluorophenyl)-4-methylidene-6-(2-methylphenyl)-2-oxo-1,3-diazinane-5-carboxamide
CID 2294678
N,N,6-trimethyl-2-sulfanylidene-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 3988907
propan-2-yl 6-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 3854390
(4S,5S)-4-(2,4-difluorophenyl)-6-methylidene-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide
CID 2107737
methyl (5S,6S)-4-methylidene-2-oxo-6-[4-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxylate
CID 2126819

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-N,N-dimethyl-4-methylidene-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide?
The IUPAC name of (5S,6R)-N,N-dimethyl-4-methylidene-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide (CID 2375857) is (5S,6R)-N,N-dimethyl-4-methylidene-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide.
What is the SMILES notation for (5S,6R)-N,N-dimethyl-4-methylidene-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide?
The canonical SMILES for (5S,6R)-N,N-dimethyl-4-methylidene-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide is C=C1NC(=O)N[C@@H](c2ccccc2C(F)(F)F)[C@@H]1C(=O)N(C)C.
What is the InChIKey of (5S,6R)-N,N-dimethyl-4-methylidene-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide?
The InChIKey is KSJGGLMNMTYHPF-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-8-11(13(22)21(2)3)12(20-14(23)19-8)9-6-4-5-7-10(9)15(16,17)18/h4-7,11-12H,1H2,2-3H3,(H2,19,20,23)/t11-,12+/m1/s1.
What are the key properties of (5S,6R)-N,N-dimethyl-4-methylidene-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide?
(5S,6R)-N,N-dimethyl-4-methylidene-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide has a molecular weight of 327.31 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-N,N-dimethyl-4-methylidene-2-oxo-6-[2-(trifluoromethyl)phenyl]-1,3-diazinane-5-carboxamide is sourced from PubChem (CID 2375857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).