ethane;ethyl 3-(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)propanoate

C19H24BrNO4 — CID 143008403

IUPACethane;ethyl 3-(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)propanoate
SMILESCC.CCOC(=O)CCn1ccc(OCc2ccccc2)c(Br)c1=O
InChIInChI=1S/C17H18BrNO4.C2H6/c1-2-22-15(20)9-11-19-10-8-14(16(18)17(19)21)23-12-13-6-4-3-5-7-13;1-2/h3-8,10H,2,9,11-12H2,1H3;1-2H3
InChIKeyUDRGHEUYWFYWGF-UHFFFAOYSA-N
MW410.31 g/mol
LogP4.17
Rot. Bonds7

About ethane;ethyl 3-(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)propanoate

ethane;ethyl 3-(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)propanoate (PubChem CID 143008403) has the molecular formula C19H24BrNO4 and a molecular weight of 410.31 g/mol. Its IUPAC name is ethane;ethyl 3-(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)propanoate.

Molecular Properties

Compound Nameethane;ethyl 3-(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)propanoate
PubChem CID143008403
Molecular FormulaC19H24BrNO4
Molecular Weight410.31 g/mol
Exact Mass409.09
IUPAC Nameethane;ethyl 3-(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)propanoate
SMILESCC.CCOC(=O)CCn1ccc(OCc2ccccc2)c(Br)c1=O
InChIInChI=1S/C17H18BrNO4.C2H6/c1-2-22-15(20)9-11-19-10-8-14(16(18)17(19)21)23-12-13-6-4-3-5-7-13;1-2/h3-8,10H,2,9,11-12H2,1H3;1-2H3
InChIKeyUDRGHEUYWFYWGF-UHFFFAOYSA-N
XLogP4.17
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.31
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-1-[(4-methylphenyl)methyl]-4-phenylmethoxypyridin-2-one
CID 10287295
2-[4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]phenyl]acetic acid
CID 11441746
1,3-dimethyl-4-phenylmethoxypyridin-2-one;ethane
CID 156637776
4-[(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)methyl]-N'-hydroxybenzenecarboximidamide
CID 10151181
3-bromo-1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]-4-phenylmethoxypyridin-2-one
CID 143008418
3-bromo-1,6-dimethyl-4-phenylmethoxypyridin-2-one
CID 169449042
1-benzyl-3-bromo-4-[(2-chlorophenyl)methoxy]pyridin-2-one
CID 10173044
3-bromo-4-[(4-fluorophenyl)methoxy]-1-[(4-phenylphenyl)methyl]pyridin-2-one
CID 11476791
ethyl 3-[5,5-dibenzyl-3-(3-ethoxy-3-oxopropyl)-2,4,6-trioxo-1,3-diazinan-1-yl]propanoate
CID 121307903
ethyl 3-[benzyl-[(3-methoxy-4-phenylmethoxyphenyl)methyl]amino]propanoate
CID 3541865
ethyl 3-(3-benzyl-5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate
CID 805490
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 3-(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)propanoate?
The IUPAC name of ethane;ethyl 3-(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)propanoate (CID 143008403) is ethane;ethyl 3-(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)propanoate.
What is the SMILES notation for ethane;ethyl 3-(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)propanoate?
The canonical SMILES for ethane;ethyl 3-(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)propanoate is CC.CCOC(=O)CCn1ccc(OCc2ccccc2)c(Br)c1=O.
What is the InChIKey of ethane;ethyl 3-(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)propanoate?
The InChIKey is UDRGHEUYWFYWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO4.C2H6/c1-2-22-15(20)9-11-19-10-8-14(16(18)17(19)21)23-12-13-6-4-3-5-7-13;1-2/h3-8,10H,2,9,11-12H2,1H3;1-2H3.
What are the key properties of ethane;ethyl 3-(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)propanoate?
ethane;ethyl 3-(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)propanoate has a molecular weight of 410.31 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 3-(3-bromo-2-oxo-4-phenylmethoxy-1-pyridinyl)propanoate is sourced from PubChem (CID 143008403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).