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

C13H20N2O2 — CID 113232055

IUPACN-(2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCCC(CC)CNC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C13H20N2O2/c1-4-10(5-2)9-14-13(17)11-6-7-15(3)12(16)8-11/h6-8,10H,4-5,9H2,1-3H3,(H,14,17)
InChIKeyFTQZBRZDGSHPHK-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.55
Rot. Bonds5

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

N-(2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 113232055) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID113232055
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
SMILESCCC(CC)CNC(=O)c1ccn(C)c(=O)c1
InChIInChI=1S/C13H20N2O2/c1-4-10(5-2)9-14-13(17)11-6-7-15(3)12(16)8-11/h6-8,10H,4-5,9H2,1-3H3,(H,14,17)
InChIKeyFTQZBRZDGSHPHK-UHFFFAOYSA-N
XLogP1.55
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 81065047
N-(4-bromo-2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 114039929
N-[2-(2-chloroethyl)pentyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 106117560
N-butyl-1-methyl-2-oxopyridine-4-carboxamide
CID 35555679
1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide
CID 104860744
1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide
CID 35556772
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 111422607
1-methyl-N-[(2S)-2-(3-methylphenoxy)butyl]-2-oxopyridine-4-carboxamide
CID 96529042
1-methyl-N-[(2R)-2-(3-methylphenoxy)butyl]-2-oxopyridine-4-carboxamide
CID 96529043
N-(2-ethyl-2-methylsulfanylbutyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103709300
N-(1,3-dihydroxypropan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 65314932
N-(2-hydroxy-2-propylpentyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 111444713

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-(2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide (CID 113232055) is N-(2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-(2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-(2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide is CCC(CC)CNC(=O)c1ccn(C)c(=O)c1.
What is the InChIKey of N-(2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is FTQZBRZDGSHPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-10(5-2)9-14-13(17)11-6-7-15(3)12(16)8-11/h6-8,10H,4-5,9H2,1-3H3,(H,14,17).
What are the key properties of N-(2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide?
N-(2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 113232055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).