5-bromo-6-methyl-N-[(2R)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide

C15H23BrN2O2 — CID 125490373

IUPAC5-bromo-6-methyl-N-[(2R)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCCCCCC[C@@H](C)NC(=O)c1cc(Br)c(C)[nH]c1=O
InChIInChI=1S/C15H23BrN2O2/c1-4-5-6-7-8-10(2)17-14(19)12-9-13(16)11(3)18-15(12)20/h9-10H,4-8H2,1-3H3,(H,17,19)(H,18,20)/t10-/m1/s1
InChIKeyBIPHBTYLIJGYGD-SNVBAGLBSA-N
MW343.27 g/mol
LogP3.53
Rot. Bonds7

About 5-bromo-6-methyl-N-[(2R)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide

5-bromo-6-methyl-N-[(2R)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 125490373) has the molecular formula C15H23BrN2O2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 5-bromo-6-methyl-N-[(2R)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-6-methyl-N-[(2R)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID125490373
Molecular FormulaC15H23BrN2O2
Molecular Weight343.27 g/mol
Exact Mass342.09
IUPAC Name5-bromo-6-methyl-N-[(2R)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCCCCCC[C@@H](C)NC(=O)c1cc(Br)c(C)[nH]c1=O
InChIInChI=1S/C15H23BrN2O2/c1-4-5-6-7-8-10(2)17-14(19)12-9-13(16)11(3)18-15(12)20/h9-10H,4-8H2,1-3H3,(H,17,19)(H,18,20)/t10-/m1/s1
InChIKeyBIPHBTYLIJGYGD-SNVBAGLBSA-N
XLogP3.53
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,6-dimethyl-N-[(2S)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125490337
6-methyl-N-[(2R)-octan-2-yl]-2-oxo-5-propyl-1H-pyridine-3-carboxamide
CID 125490774
5-bromo-6-methyl-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 99697750
6-ethyl-N-[(2S)-heptan-2-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125490976
N-[(2S)-heptan-2-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125491124
2,4-dibromo-N-heptan-2-ylbenzamide
CID 114019926
5-bromo-N-[(2S)-butan-2-yl]-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125490367
4-bromo-2-hydroxy-N-octan-2-ylbenzamide
CID 55223939
5-bromo-N-(2-methoxyethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 129393787
5-bromo-6-ethyl-N-[(2R)-4-methylpentan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125490531
5-bromo-2-fluoro-N-octan-2-ylbenzamide
CID 55222984
4-hydroxy-2-methyl-N-octan-2-ylbenzamide
CID 103865158

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-N-[(2R)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-bromo-6-methyl-N-[(2R)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide (CID 125490373) is 5-bromo-6-methyl-N-[(2R)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-6-methyl-N-[(2R)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-6-methyl-N-[(2R)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide is CCCCCC[C@@H](C)NC(=O)c1cc(Br)c(C)[nH]c1=O.
What is the InChIKey of 5-bromo-6-methyl-N-[(2R)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is BIPHBTYLIJGYGD-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H23BrN2O2/c1-4-5-6-7-8-10(2)17-14(19)12-9-13(16)11(3)18-15(12)20/h9-10H,4-8H2,1-3H3,(H,17,19)(H,18,20)/t10-/m1/s1.
What are the key properties of 5-bromo-6-methyl-N-[(2R)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide?
5-bromo-6-methyl-N-[(2R)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 343.27 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-N-[(2R)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 125490373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).