3-N-benzyl-3-N-methyl-2-oxo-5-N-(3,3,3-trifluoropropyl)-1H-pyridine-3,5-dicarboxamide

C18H18F3N3O3 — CID 126749840

IUPAC3-N-benzyl-3-N-methyl-2-oxo-5-N-(3,3,3-trifluoropropyl)-1H-pyridine-3,5-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(C(=O)NCCC(F)(F)F)c[nH]c1=O
InChIInChI=1S/C18H18F3N3O3/c1-24(11-12-5-3-2-4-6-12)17(27)14-9-13(10-23-16(14)26)15(25)22-8-7-18(19,20)21/h2-6,9-10H,7-8,11H2,1H3,(H,22,25)(H,23,26)
InChIKeySKJCGWMAZREUIQ-UHFFFAOYSA-N
MW381.35 g/mol
LogP2.33
Rot. Bonds6

About 3-N-benzyl-3-N-methyl-2-oxo-5-N-(3,3,3-trifluoropropyl)-1H-pyridine-3,5-dicarboxamide

3-N-benzyl-3-N-methyl-2-oxo-5-N-(3,3,3-trifluoropropyl)-1H-pyridine-3,5-dicarboxamide (PubChem CID 126749840) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is 3-N-benzyl-3-N-methyl-2-oxo-5-N-(3,3,3-trifluoropropyl)-1H-pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-3-N-methyl-2-oxo-5-N-(3,3,3-trifluoropropyl)-1H-pyridine-3,5-dicarboxamide
PubChem CID126749840
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC Name3-N-benzyl-3-N-methyl-2-oxo-5-N-(3,3,3-trifluoropropyl)-1H-pyridine-3,5-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(C(=O)NCCC(F)(F)F)c[nH]c1=O
InChIInChI=1S/C18H18F3N3O3/c1-24(11-12-5-3-2-4-6-12)17(27)14-9-13(10-23-16(14)26)15(25)22-8-7-18(19,20)21/h2-6,9-10H,7-8,11H2,1H3,(H,22,25)(H,23,26)
InChIKeySKJCGWMAZREUIQ-UHFFFAOYSA-N
XLogP2.33
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-N-benzyl-3-N-methyl-2-oxo-5-N-(3,3,3-trifluoropropyl)-1H-pyridine-3,5-dicarboxamide with MolForge

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Related Compounds

3-N-benzyl-5-N-[2-(hydroxymethyl)cyclopropyl]-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide
CID 126648395
5-N-ethyl-3-N-[(3-methoxyphenyl)methyl]-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide
CID 126749858
5-N-cyclopropyl-3-N-methyl-3-N-[(4-methylphenyl)methyl]-2-oxo-1H-pyridine-3,5-dicarboxamide
CID 126648564
N-benzyl-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 25474038
5-N-ethyl-3-N-[[3-(2-hydroxyethoxy)phenyl]methyl]-3-N-methyl-2-oxo-1H-pyridine-3,5-dicarboxamide
CID 126749880
N-benzyl-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 110851115
N-benzyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110851137
N-[2-(dimethylamino)ethyl]-6-oxo-5-phenyl-1H-pyridine-3-carboxamide
CID 110683760
5-bromo-N-methyl-N-[(3-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 126648643
3-N-benzyl-1-N-(2-methoxyethyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109052503
N-[3-[[benzyl(methyl)carbamoyl]amino]propyl]-4-fluorobenzamide
CID 56787694
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-3-N-methyl-2-oxo-5-N-(3,3,3-trifluoropropyl)-1H-pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-benzyl-3-N-methyl-2-oxo-5-N-(3,3,3-trifluoropropyl)-1H-pyridine-3,5-dicarboxamide (CID 126749840) is 3-N-benzyl-3-N-methyl-2-oxo-5-N-(3,3,3-trifluoropropyl)-1H-pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-3-N-methyl-2-oxo-5-N-(3,3,3-trifluoropropyl)-1H-pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-benzyl-3-N-methyl-2-oxo-5-N-(3,3,3-trifluoropropyl)-1H-pyridine-3,5-dicarboxamide is CN(Cc1ccccc1)C(=O)c1cc(C(=O)NCCC(F)(F)F)c[nH]c1=O.
What is the InChIKey of 3-N-benzyl-3-N-methyl-2-oxo-5-N-(3,3,3-trifluoropropyl)-1H-pyridine-3,5-dicarboxamide?
The InChIKey is SKJCGWMAZREUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c1-24(11-12-5-3-2-4-6-12)17(27)14-9-13(10-23-16(14)26)15(25)22-8-7-18(19,20)21/h2-6,9-10H,7-8,11H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 3-N-benzyl-3-N-methyl-2-oxo-5-N-(3,3,3-trifluoropropyl)-1H-pyridine-3,5-dicarboxamide?
3-N-benzyl-3-N-methyl-2-oxo-5-N-(3,3,3-trifluoropropyl)-1H-pyridine-3,5-dicarboxamide has a molecular weight of 381.35 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-3-N-methyl-2-oxo-5-N-(3,3,3-trifluoropropyl)-1H-pyridine-3,5-dicarboxamide is sourced from PubChem (CID 126749840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).