2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide

C24H21BrN2O4 — CID 55391543

IUPAC2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H21BrN2O4/c25-19-8-11-23(28)26(16-19)17-24(29)27(12-4-7-18-5-2-1-3-6-18)20-9-10-21-22(15-20)31-14-13-30-21/h1-11,15-16H,12-14,17H2/b7-4+
InChIKeyKUPFCUWBIUCYHM-QPJJXVBHSA-N
MW481.35 g/mol
LogP4.13
Rot. Bonds6

About 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide

2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide (PubChem CID 55391543) has the molecular formula C24H21BrN2O4 and a molecular weight of 481.35 g/mol. Its IUPAC name is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide.

Molecular Properties

Compound Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide
PubChem CID55391543
Molecular FormulaC24H21BrN2O4
Molecular Weight481.35 g/mol
Exact Mass480.07
IUPAC Name2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide
SMILESO=C(Cn1cc(Br)ccc1=O)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H21BrN2O4/c25-19-8-11-23(28)26(16-19)17-24(29)27(12-4-7-18-5-2-1-3-6-18)20-9-10-21-22(15-20)31-14-13-30-21/h1-11,15-16H,12-14,17H2/b7-4+
InChIKeyKUPFCUWBIUCYHM-QPJJXVBHSA-N
XLogP4.13
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.35
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 34133679
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]benzamide
CID 18290678
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 24578458
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(furan-2-yl)-N-[(E)-3-phenylprop-2-enyl]prop-2-enamide
CID 18276874
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-oxo-N-[(E)-3-phenylprop-2-enyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 43024892
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-N-[(E)-3-phenylprop-2-enyl]pyrazole-3-carboxamide
CID 55876253
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-nitrophenoxy)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 39708384
N-[4-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 31929210
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-dimethyl-N-[(E)-3-phenylprop-2-enyl]pyridine-3-carboxamide
CID 55876252
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-N-[(E)-3-phenylprop-2-enyl]-1-benzofuran-2-carboxamide
CID 18204488
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-3-phenylprop-2-enyl]butanamide
CID 55668989
2-[2,3-dihydro-1,4-benzodioxin-6-yl-[(E)-3-phenylprop-2-enyl]amino]-N-(1-ethylpiperidin-4-yl)acetamide
CID 78826278

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide?
The IUPAC name of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide (CID 55391543) is 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide.
What is the SMILES notation for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide?
The canonical SMILES for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide is O=C(Cn1cc(Br)ccc1=O)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide?
The InChIKey is KUPFCUWBIUCYHM-QPJJXVBHSA-N. The full InChI is InChI=1S/C24H21BrN2O4/c25-19-8-11-23(28)26(16-19)17-24(29)27(12-4-7-18-5-2-1-3-6-18)20-9-10-21-22(15-20)31-14-13-30-21/h1-11,15-16H,12-14,17H2/b7-4+.
What are the key properties of 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide?
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide has a molecular weight of 481.35 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-3-phenylprop-2-enyl]acetamide is sourced from PubChem (CID 55391543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).