N-(4-bromo-2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide

C13H19BrN2O2 — CID 114039929

IUPACN-(4-bromo-2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCCC(CCBr)CNC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C13H19BrN2O2/c1-3-10(4-6-14)9-15-13(18)11-5-7-16(2)12(17)8-11/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,15,18)
InChIKeySLNMOXFQBKAEEW-UHFFFAOYSA-N
MW315.21 g/mol
LogP1.93
Rot. Bonds6

About N-(4-bromo-2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide

N-(4-bromo-2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 114039929) has the molecular formula C13H19BrN2O2 and a molecular weight of 315.21 g/mol. Its IUPAC name is N-(4-bromo-2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID114039929
Molecular FormulaC13H19BrN2O2
Molecular Weight315.21 g/mol
Exact Mass314.06
IUPAC NameN-(4-bromo-2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCCC(CCBr)CNC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C13H19BrN2O2/c1-3-10(4-6-14)9-15-13(18)11-5-7-16(2)12(17)8-11/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,15,18)
InChIKeySLNMOXFQBKAEEW-UHFFFAOYSA-N
XLogP1.93
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 113232055
3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 81065047
N-[2-(2-chloroethyl)pentyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 106117560
N-(4-bromo-2-ethylbutyl)-4-hydroxybenzamide
CID 114317617
3-bromo-N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide
CID 107956765
3-bromo-N-(4-bromo-2-ethylbutyl)-4-chlorobenzamide
CID 107994072
1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide
CID 35556772
N-(4-bromo-2-ethylbutyl)-4-fluorobenzamide
CID 114317772
N-(4-bromo-2-ethylbutyl)-3-chloro-4-fluorobenzamide
CID 82878753
N-butyl-1-methyl-2-oxopyridine-4-carboxamide
CID 35555679
N-(4-bromo-2-ethylbutyl)-3-(trifluoromethyl)benzamide
CID 114317719
N-(4-bromo-2-ethylbutyl)-4-methylsulfanylbenzamide
CID 114317601

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-(4-bromo-2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide (CID 114039929) is N-(4-bromo-2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide is CCC(CCBr)CNC(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of N-(4-bromo-2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is SLNMOXFQBKAEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2/c1-3-10(4-6-14)9-15-13(18)11-5-7-16(2)12(17)8-11/h5,7-8,10H,3-4,6,9H2,1-2H3,(H,15,18).
What are the key properties of N-(4-bromo-2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide?
N-(4-bromo-2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 315.21 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 114039929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).