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

C21H27BrN2O4 — CID 23040863

IUPAC5-bromo-N-(2,6-diethyl-4-methoxyphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCCc1cc(OC)cc(CC)c1NC(=O)c1c(COC)n(C)c(C)c(Br)c1=O
InChIInChI=1S/C21H27BrN2O4/c1-7-13-9-15(28-6)10-14(8-2)19(13)23-21(26)17-16(11-27-5)24(4)12(3)18(22)20(17)25/h9-10H,7-8,11H2,1-6H3,(H,23,26)
InChIKeyOXTXNZNIJIEPQH-UHFFFAOYSA-N
MW451.36 g/mol
LogP3.99
Rot. Bonds7

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

5-bromo-N-(2,6-diethyl-4-methoxyphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide (PubChem CID 23040863) has the molecular formula C21H27BrN2O4 and a molecular weight of 451.36 g/mol. Its IUPAC name is 5-bromo-N-(2,6-diethyl-4-methoxyphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,6-diethyl-4-methoxyphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide
PubChem CID23040863
Molecular FormulaC21H27BrN2O4
Molecular Weight451.36 g/mol
Exact Mass450.12
IUPAC Name5-bromo-N-(2,6-diethyl-4-methoxyphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide
SMILESCCc1cc(OC)cc(CC)c1NC(=O)c1c(COC)n(C)c(C)c(Br)c1=O
InChIInChI=1S/C21H27BrN2O4/c1-7-13-9-15(28-6)10-14(8-2)19(13)23-21(26)17-16(11-27-5)24(4)12(3)18(22)20(17)25/h9-10H,7-8,11H2,1-6H3,(H,23,26)
InChIKeyOXTXNZNIJIEPQH-UHFFFAOYSA-N
XLogP3.99
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.36
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,6-diethyl-4-methoxyphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2,6-diethyl-4-methoxyphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide (CID 23040863) is 5-bromo-N-(2,6-diethyl-4-methoxyphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,6-diethyl-4-methoxyphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2,6-diethyl-4-methoxyphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide is CCc1cc(OC)cc(CC)c1NC(=O)c1c(COC)n(C)c(C)c(Br)c1=O.
What is the InChIKey of 5-bromo-N-(2,6-diethyl-4-methoxyphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide?
The InChIKey is OXTXNZNIJIEPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27BrN2O4/c1-7-13-9-15(28-6)10-14(8-2)19(13)23-21(26)17-16(11-27-5)24(4)12(3)18(22)20(17)25/h9-10H,7-8,11H2,1-6H3,(H,23,26).
What are the key properties of 5-bromo-N-(2,6-diethyl-4-methoxyphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide?
5-bromo-N-(2,6-diethyl-4-methoxyphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide has a molecular weight of 451.36 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,6-diethyl-4-methoxyphenyl)-2-(methoxymethyl)-1,6-dimethyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 23040863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).