N-(2-ethylbutyl)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C13H19IN2O2 — CID 125491354

IUPACN-(2-ethylbutyl)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCC(CC)CNC(=O)c1cc(I)c(C)[nH]c1=O
InChIInChI=1S/C13H19IN2O2/c1-4-9(5-2)7-15-12(17)10-6-11(14)8(3)16-13(10)18/h6,9H,4-5,7H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyYPGBDXZKUOOAEG-UHFFFAOYSA-N
MW362.21 g/mol
LogP2.45
Rot. Bonds5

About N-(2-ethylbutyl)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide

N-(2-ethylbutyl)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 125491354) has the molecular formula C13H19IN2O2 and a molecular weight of 362.21 g/mol. Its IUPAC name is N-(2-ethylbutyl)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethylbutyl)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID125491354
Molecular FormulaC13H19IN2O2
Molecular Weight362.21 g/mol
Exact Mass362.05
IUPAC NameN-(2-ethylbutyl)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCCC(CC)CNC(=O)c1cc(I)c(C)[nH]c1=O
InChIInChI=1S/C13H19IN2O2/c1-4-9(5-2)7-15-12(17)10-6-11(14)8(3)16-13(10)18/h6,9H,4-5,7H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyYPGBDXZKUOOAEG-UHFFFAOYSA-N
XLogP2.45
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-N-(2-ethylbutyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125491131
5-iodo-N-(2-methoxyethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125491246
N-(2-ethylbutyl)-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125490566
6-ethyl-5-iodo-N-[(2R)-2-methylbutyl]-2-oxo-1H-pyridine-3-carboxamide
CID 125491326
6-methyl-N-[(2R)-2-methylbutyl]-2-oxo-5-propyl-1H-pyridine-3-carboxamide
CID 125491181
5-bromo-N-(2-ethylbutyl)-2-iodobenzamide
CID 115612616
5-iodo-6-methyl-2-oxo-N-phenyl-1H-pyridine-3-carboxamide
CID 125490765
5-iodo-6-methyl-2-oxo-N-(pyridin-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 125490402
5-iodo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide
CID 125491105
N-(2-chloroethoxy)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125490235
N-[(2S)-2-ethylhexyl]-2-iodo-4-methylbenzamide
CID 100527557
5-chloro-N-(2-ethyl-4-hydroxybutyl)-2-iodobenzamide
CID 113254459

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylbutyl)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-ethylbutyl)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 125491354) is N-(2-ethylbutyl)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethylbutyl)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-ethylbutyl)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide is CCC(CC)CNC(=O)c1cc(I)c(C)[nH]c1=O.
What is the InChIKey of N-(2-ethylbutyl)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YPGBDXZKUOOAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2O2/c1-4-9(5-2)7-15-12(17)10-6-11(14)8(3)16-13(10)18/h6,9H,4-5,7H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N-(2-ethylbutyl)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-(2-ethylbutyl)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 362.21 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylbutyl)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 125491354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).