5-bromo-N-(2-methoxyethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C10H13BrN2O3 — CID 129393787

IUPAC5-bromo-N-(2-methoxyethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cc(Br)c(C)[nH]c1=O
InChIInChI=1S/C10H13BrN2O3/c1-6-8(11)5-7(10(15)13-6)9(14)12-3-4-16-2/h5H,3-4H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyWEVXNMDOYBDSAI-UHFFFAOYSA-N
MW289.13 g/mol
LogP0.82
Rot. Bonds4

About 5-bromo-N-(2-methoxyethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide

5-bromo-N-(2-methoxyethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 129393787) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 5-bromo-N-(2-methoxyethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-methoxyethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID129393787
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name5-bromo-N-(2-methoxyethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCOCCNC(=O)c1cc(Br)c(C)[nH]c1=O
InChIInChI=1S/C10H13BrN2O3/c1-6-8(11)5-7(10(15)13-6)9(14)12-3-4-16-2/h5H,3-4H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyWEVXNMDOYBDSAI-UHFFFAOYSA-N
XLogP0.82
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-6-ethyl-N-(2-methoxyethyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125491067
5-iodo-N-(2-methoxyethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125491246
2,5-dibromo-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 34673873
5-bromo-6-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 86801961
5-bromo-N-cyclopropyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 129393053
5-bromo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide
CID 125491454
2,4-dibromo-N-(2-methoxyethyl)benzamide
CID 103882043
5-bromo-6-methyl-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 99697750
N-(2-methoxyethyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36656888
6-bromo-N-(4-methoxybutyl)-2-oxo-1H-quinoline-3-carboxamide
CID 110416375
N-(2-methoxyethyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
CID 141129422
2-bromo-5-fluoro-N-(2-methoxyethyl)benzamide
CID 24703783

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-methoxyethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-methoxyethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 129393787) is 5-bromo-N-(2-methoxyethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-methoxyethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-methoxyethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide is COCCNC(=O)c1cc(Br)c(C)[nH]c1=O.
What is the InChIKey of 5-bromo-N-(2-methoxyethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WEVXNMDOYBDSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-6-8(11)5-7(10(15)13-6)9(14)12-3-4-16-2/h5H,3-4H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of 5-bromo-N-(2-methoxyethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
5-bromo-N-(2-methoxyethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 289.13 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-methoxyethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 129393787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).