N-benzyl-5-bromo-6-ethyl-N-(2-ethyl-6-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboxamide

C25H27BrN2O2 — CID 70357864

IUPACN-benzyl-5-bromo-6-ethyl-N-(2-ethyl-6-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCc1cccc(C)c1N(Cc1ccccc1)C(=O)c1c(C)[nH]c(CC)c(Br)c1=O
InChIInChI=1S/C25H27BrN2O2/c1-5-19-14-10-11-16(3)23(19)28(15-18-12-8-7-9-13-18)25(30)21-17(4)27-20(6-2)22(26)24(21)29/h7-14H,5-6,15H2,1-4H3,(H,27,29)
InChIKeyZLEPJVNSWKZXCW-UHFFFAOYSA-N
MW467.41 g/mol
LogP5.73
Rot. Bonds6

About N-benzyl-5-bromo-6-ethyl-N-(2-ethyl-6-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboxamide

N-benzyl-5-bromo-6-ethyl-N-(2-ethyl-6-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 70357864) has the molecular formula C25H27BrN2O2 and a molecular weight of 467.41 g/mol. Its IUPAC name is N-benzyl-5-bromo-6-ethyl-N-(2-ethyl-6-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-bromo-6-ethyl-N-(2-ethyl-6-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID70357864
Molecular FormulaC25H27BrN2O2
Molecular Weight467.41 g/mol
Exact Mass466.13
IUPAC NameN-benzyl-5-bromo-6-ethyl-N-(2-ethyl-6-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCCc1cccc(C)c1N(Cc1ccccc1)C(=O)c1c(C)[nH]c(CC)c(Br)c1=O
InChIInChI=1S/C25H27BrN2O2/c1-5-19-14-10-11-16(3)23(19)28(15-18-12-8-7-9-13-18)25(30)21-17(4)27-20(6-2)22(26)24(21)29/h7-14H,5-6,15H2,1-4H3,(H,27,29)
InChIKeyZLEPJVNSWKZXCW-UHFFFAOYSA-N
XLogP5.73
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.41
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-bromo-6-ethyl-N-(2-ethyl-6-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-bromo-6-ethyl-N-(2-ethyl-6-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 70357864) is N-benzyl-5-bromo-6-ethyl-N-(2-ethyl-6-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-bromo-6-ethyl-N-(2-ethyl-6-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-bromo-6-ethyl-N-(2-ethyl-6-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboxamide is CCc1cccc(C)c1N(Cc1ccccc1)C(=O)c1c(C)[nH]c(CC)c(Br)c1=O.
What is the InChIKey of N-benzyl-5-bromo-6-ethyl-N-(2-ethyl-6-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ZLEPJVNSWKZXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27BrN2O2/c1-5-19-14-10-11-16(3)23(19)28(15-18-12-8-7-9-13-18)25(30)21-17(4)27-20(6-2)22(26)24(21)29/h7-14H,5-6,15H2,1-4H3,(H,27,29).
What are the key properties of N-benzyl-5-bromo-6-ethyl-N-(2-ethyl-6-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-benzyl-5-bromo-6-ethyl-N-(2-ethyl-6-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 467.41 g/mol, XLogP of 5.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-bromo-6-ethyl-N-(2-ethyl-6-methylphenyl)-2-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 70357864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).