5-bromo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide

C10H11BrN2O3 — CID 125491454

IUPAC5-bromo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide
SMILESC=CCONC(=O)c1cc(Br)c(C)[nH]c1=O
InChIInChI=1S/C10H11BrN2O3/c1-3-4-16-13-10(15)7-5-8(11)6(2)12-9(7)14/h3,5H,1,4H2,2H3,(H,12,14)(H,13,15)
InChIKeyZFTSPNXFOTVAQR-UHFFFAOYSA-N
MW287.11 g/mol
LogP1.29
Rot. Bonds4

About 5-bromo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide

5-bromo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide (PubChem CID 125491454) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is 5-bromo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide
PubChem CID125491454
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name5-bromo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide
SMILESC=CCONC(=O)c1cc(Br)c(C)[nH]c1=O
InChIInChI=1S/C10H11BrN2O3/c1-3-4-16-13-10(15)7-5-8(11)6(2)12-9(7)14/h3,5H,1,4H2,2H3,(H,12,14)(H,13,15)
InChIKeyZFTSPNXFOTVAQR-UHFFFAOYSA-N
XLogP1.29
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-iodo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide
CID 125491105
6-ethyl-5-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide
CID 125490540
5-bromo-N-(2-methoxyethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 129393787
5-bromo-N-cyclopropyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 129393053
5-bromo-6-methyl-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 99697750
5-bromo-N,N,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 129393792
5-bromo-6-methyl-N-[(2R)-octan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125490373
N-(2-chloroethoxy)-5-iodo-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125490235
5-bromo-6-methyl-N-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 86801961
N-prop-2-enoxynaphthalene-1-carboxamide
CID 71365701
5-bromo-3-ethyl-6-methyl-1H-pyridin-2-one
CID 20779274
prop-2-enyl N-(6,7-dimethoxy-1-methyl-3-oxo-2H-isoquinolin-4-yl)carbamate
CID 14075600

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide?
The IUPAC name of 5-bromo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide (CID 125491454) is 5-bromo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide is C=CCONC(=O)c1cc(Br)c(C)[nH]c1=O.
What is the InChIKey of 5-bromo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide?
The InChIKey is ZFTSPNXFOTVAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c1-3-4-16-13-10(15)7-5-8(11)6(2)12-9(7)14/h3,5H,1,4H2,2H3,(H,12,14)(H,13,15).
What are the key properties of 5-bromo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide?
5-bromo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide has a molecular weight of 287.11 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-2-oxo-N-prop-2-enoxy-1H-pyridine-3-carboxamide is sourced from PubChem (CID 125491454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).