5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]furan-2-carboxamide

C19H15BrF2N2O4 — CID 22050163

IUPAC5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]furan-2-carboxamide
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccc(C(N)=O)o1
InChIInChI=1S/C19H15BrF2N2O4/c1-10-6-16(27-9-11-2-3-12(21)7-14(11)22)17(20)19(26)24(10)8-13-4-5-15(28-13)18(23)25/h2-7H,8-9H2,1H3,(H2,23,25)
InChIKeyLRQZYSNTPVYYJK-UHFFFAOYSA-N
MW453.24 g/mol
LogP3.52
Rot. Bonds6

About 5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]furan-2-carboxamide

5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]furan-2-carboxamide (PubChem CID 22050163) has the molecular formula C19H15BrF2N2O4 and a molecular weight of 453.24 g/mol. Its IUPAC name is 5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]furan-2-carboxamide
PubChem CID22050163
Molecular FormulaC19H15BrF2N2O4
Molecular Weight453.24 g/mol
Exact Mass452.02
IUPAC Name5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]furan-2-carboxamide
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccc(C(N)=O)o1
InChIInChI=1S/C19H15BrF2N2O4/c1-10-6-16(27-9-11-2-3-12(21)7-14(11)22)17(20)19(26)24(10)8-13-4-5-15(28-13)18(23)25/h2-7H,8-9H2,1H3,(H2,23,25)
InChIKeyLRQZYSNTPVYYJK-UHFFFAOYSA-N
XLogP3.52
TPSA87.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.24
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]furan-2-carboxamide?
The IUPAC name of 5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]furan-2-carboxamide (CID 22050163) is 5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]furan-2-carboxamide is Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1ccc(C(N)=O)o1.
What is the InChIKey of 5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]furan-2-carboxamide?
The InChIKey is LRQZYSNTPVYYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrF2N2O4/c1-10-6-16(27-9-11-2-3-12(21)7-14(11)22)17(20)19(26)24(10)8-13-4-5-15(28-13)18(23)25/h2-7H,8-9H2,1H3,(H2,23,25).
What are the key properties of 5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]furan-2-carboxamide?
5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]furan-2-carboxamide has a molecular weight of 453.24 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 22050163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).