methyl 4-[[[5-(dimethylcarbamoyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]methyl]benzoate

C26H24F3N3O5 — CID 68881412

IUPACmethyl 4-[[[5-(dimethylcarbamoyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2cc(C(=O)N(C)C)c(C)n(-c3cccc(C(F)(F)F)c3)c2=O)cc1
InChIInChI=1S/C26H24F3N3O5/c1-15-20(23(34)31(2)3)13-21(22(33)30-14-16-8-10-17(11-9-16)25(36)37-4)24(35)32(15)19-7-5-6-18(12-19)26(27,28)29/h5-13H,14H2,1-4H3,(H,30,33)
InChIKeyCWGLQWVRVGMFKV-UHFFFAOYSA-N
MW515.49 g/mol
LogP3.58
Rot. Bonds6

About methyl 4-[[[5-(dimethylcarbamoyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]methyl]benzoate

methyl 4-[[[5-(dimethylcarbamoyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]methyl]benzoate (PubChem CID 68881412) has the molecular formula C26H24F3N3O5 and a molecular weight of 515.49 g/mol. Its IUPAC name is methyl 4-[[[5-(dimethylcarbamoyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[5-(dimethylcarbamoyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]methyl]benzoate
PubChem CID68881412
Molecular FormulaC26H24F3N3O5
Molecular Weight515.49 g/mol
Exact Mass515.17
IUPAC Namemethyl 4-[[[5-(dimethylcarbamoyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2cc(C(=O)N(C)C)c(C)n(-c3cccc(C(F)(F)F)c3)c2=O)cc1
InChIInChI=1S/C26H24F3N3O5/c1-15-20(23(34)31(2)3)13-21(22(33)30-14-16-8-10-17(11-9-16)25(36)37-4)24(35)32(15)19-7-5-6-18(12-19)26(27,28)29/h5-13H,14H2,1-4H3,(H,30,33)
InChIKeyCWGLQWVRVGMFKV-UHFFFAOYSA-N
XLogP3.58
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[[5-(dimethylcarbamoyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]methyl]benzoate with MolForge

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Related Compounds

5-N-[(2-chloro-4-fluorophenyl)methyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 68881463
3-N-(2-hydroxyethyl)-3-N,2-dimethyl-5-N-[(4-methylsulfonylphenyl)methyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 68880505
5-(1-methoxyethyl)-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 68880601
5-N-[1-(4-chlorophenyl)ethyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 68884088
5-cyano-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 66725168
2-methyl-5-[(4-methylsulfonylphenyl)methylcarbamoyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-sulfonic acid
CID 11847627
5-(2-bromopropanoyl)-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 86614782
3-N,3-N,2-trimethyl-5-N-(3-morpholin-4-ylpropyl)-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 68881140
2-methyl-5-N-[(4-methylsulfonylphenyl)methyl]-6-oxo-3-N-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 68882213
[2-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 46818899
N,N'-bis[2-methyl-5-[(4-methylsulfanylphenyl)methylcarbamoyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl]nonanediamide
CID 143542743
3,3-dimethyl-2-[[2-methyl-5-[(4-methylsulfonylphenyl)methylcarbamoyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]-3-pyridinyl]oxy]butanoate
CID 86610950

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[5-(dimethylcarbamoyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]methyl]benzoate?
The IUPAC name of methyl 4-[[[5-(dimethylcarbamoyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]methyl]benzoate (CID 68881412) is methyl 4-[[[5-(dimethylcarbamoyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[5-(dimethylcarbamoyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[[5-(dimethylcarbamoyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)c2cc(C(=O)N(C)C)c(C)n(-c3cccc(C(F)(F)F)c3)c2=O)cc1.
What is the InChIKey of methyl 4-[[[5-(dimethylcarbamoyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]methyl]benzoate?
The InChIKey is CWGLQWVRVGMFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O5/c1-15-20(23(34)31(2)3)13-21(22(33)30-14-16-8-10-17(11-9-16)25(36)37-4)24(35)32(15)19-7-5-6-18(12-19)26(27,28)29/h5-13H,14H2,1-4H3,(H,30,33).
What are the key properties of methyl 4-[[[5-(dimethylcarbamoyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]methyl]benzoate?
methyl 4-[[[5-(dimethylcarbamoyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]methyl]benzoate has a molecular weight of 515.49 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[5-(dimethylcarbamoyl)-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]methyl]benzoate is sourced from PubChem (CID 68881412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).