5-bromo-2,6-dimethyl-4-oxo-N,1-diphenylpyridine-3-carboxamide

C20H17BrN2O2 — CID 3062175

IUPAC5-bromo-2,6-dimethyl-4-oxo-N,1-diphenylpyridine-3-carboxamide
SMILESCc1c(Br)c(=O)c(C(=O)Nc2ccccc2)c(C)n1-c1ccccc1
InChIInChI=1S/C20H17BrN2O2/c1-13-17(20(25)22-15-9-5-3-6-10-15)19(24)18(21)14(2)23(13)16-11-7-4-8-12-16/h3-12H,1-2H3,(H,22,25)
InChIKeyDLDISEQWTQYBIX-UHFFFAOYSA-N
MW397.27 g/mol
LogP4.47
Rot. Bonds3

About 5-bromo-2,6-dimethyl-4-oxo-N,1-diphenylpyridine-3-carboxamide

5-bromo-2,6-dimethyl-4-oxo-N,1-diphenylpyridine-3-carboxamide (PubChem CID 3062175) has the molecular formula C20H17BrN2O2 and a molecular weight of 397.27 g/mol. Its IUPAC name is 5-bromo-2,6-dimethyl-4-oxo-N,1-diphenylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2,6-dimethyl-4-oxo-N,1-diphenylpyridine-3-carboxamide
PubChem CID3062175
Molecular FormulaC20H17BrN2O2
Molecular Weight397.27 g/mol
Exact Mass396.05
IUPAC Name5-bromo-2,6-dimethyl-4-oxo-N,1-diphenylpyridine-3-carboxamide
SMILESCc1c(Br)c(=O)c(C(=O)Nc2ccccc2)c(C)n1-c1ccccc1
InChIInChI=1S/C20H17BrN2O2/c1-13-17(20(25)22-15-9-5-3-6-10-15)19(24)18(21)14(2)23(13)16-11-7-4-8-12-16/h3-12H,1-2H3,(H,22,25)
InChIKeyDLDISEQWTQYBIX-UHFFFAOYSA-N
XLogP4.47
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,6-dimethyl-4-oxo-N,1-diphenylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-2,6-dimethyl-4-oxo-N,1-diphenylpyridine-3-carboxamide (CID 3062175) is 5-bromo-2,6-dimethyl-4-oxo-N,1-diphenylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2,6-dimethyl-4-oxo-N,1-diphenylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2,6-dimethyl-4-oxo-N,1-diphenylpyridine-3-carboxamide is Cc1c(Br)c(=O)c(C(=O)Nc2ccccc2)c(C)n1-c1ccccc1.
What is the InChIKey of 5-bromo-2,6-dimethyl-4-oxo-N,1-diphenylpyridine-3-carboxamide?
The InChIKey is DLDISEQWTQYBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O2/c1-13-17(20(25)22-15-9-5-3-6-10-15)19(24)18(21)14(2)23(13)16-11-7-4-8-12-16/h3-12H,1-2H3,(H,22,25).
What are the key properties of 5-bromo-2,6-dimethyl-4-oxo-N,1-diphenylpyridine-3-carboxamide?
5-bromo-2,6-dimethyl-4-oxo-N,1-diphenylpyridine-3-carboxamide has a molecular weight of 397.27 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,6-dimethyl-4-oxo-N,1-diphenylpyridine-3-carboxamide is sourced from PubChem (CID 3062175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).