5-bromo-N-(2,6-diethylphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide

C20H25BrN2O3 — CID 23040318

IUPAC5-bromo-N-(2,6-diethylphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1c(COC)n(C)c(C)c(Br)c1=O
InChIInChI=1S/C20H25BrN2O3/c1-6-13-9-8-10-14(7-2)18(13)22-20(25)16-15(11-26-5)23(4)12(3)17(21)19(16)24/h8-10H,6-7,11H2,1-5H3,(H,22,25)
InChIKeyLBYSWQACWIAWQX-UHFFFAOYSA-N
MW421.34 g/mol
LogP3.98
Rot. Bonds6

About 5-bromo-N-(2,6-diethylphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide

5-bromo-N-(2,6-diethylphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide (PubChem CID 23040318) has the molecular formula C20H25BrN2O3 and a molecular weight of 421.34 g/mol. Its IUPAC name is 5-bromo-N-(2,6-diethylphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,6-diethylphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide
PubChem CID23040318
Molecular FormulaC20H25BrN2O3
Molecular Weight421.34 g/mol
Exact Mass420.10
IUPAC Name5-bromo-N-(2,6-diethylphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1c(COC)n(C)c(C)c(Br)c1=O
InChIInChI=1S/C20H25BrN2O3/c1-6-13-9-8-10-14(7-2)18(13)22-20(25)16-15(11-26-5)23(4)12(3)17(21)19(16)24/h8-10H,6-7,11H2,1-5H3,(H,22,25)
InChIKeyLBYSWQACWIAWQX-UHFFFAOYSA-N
XLogP3.98
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,6-diethylphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2,6-diethylphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide (CID 23040318) is 5-bromo-N-(2,6-diethylphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,6-diethylphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2,6-diethylphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide is CCc1cccc(CC)c1NC(=O)c1c(COC)n(C)c(C)c(Br)c1=O.
What is the InChIKey of 5-bromo-N-(2,6-diethylphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide?
The InChIKey is LBYSWQACWIAWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O3/c1-6-13-9-8-10-14(7-2)18(13)22-20(25)16-15(11-26-5)23(4)12(3)17(21)19(16)24/h8-10H,6-7,11H2,1-5H3,(H,22,25).
What are the key properties of 5-bromo-N-(2,6-diethylphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide?
5-bromo-N-(2,6-diethylphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide has a molecular weight of 421.34 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,6-diethylphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 23040318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).