1-[(4-fluorophenyl)methyl]-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

C19H13FN2O4 — CID 19117766

IUPAC1-[(4-fluorophenyl)methyl]-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C(=O)c2ccco2)c(O)n(Cc2ccc(F)cc2)c(=O)c1C#N
InChIInChI=1S/C19H13FN2O4/c1-11-14(9-21)18(24)22(10-12-4-6-13(20)7-5-12)19(25)16(11)17(23)15-3-2-8-26-15/h2-8,25H,10H2,1H3
InChIKeyYPKLTTVQXIUUKM-UHFFFAOYSA-N
MW352.32 g/mol
LogP2.75
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile

1-[(4-fluorophenyl)methyl]-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19117766) has the molecular formula C19H13FN2O4 and a molecular weight of 352.32 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19117766
Molecular FormulaC19H13FN2O4
Molecular Weight352.32 g/mol
Exact Mass352.09
IUPAC Name1-[(4-fluorophenyl)methyl]-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C(=O)c2ccco2)c(O)n(Cc2ccc(F)cc2)c(=O)c1C#N
InChIInChI=1S/C19H13FN2O4/c1-11-14(9-21)18(24)22(10-12-4-6-13(20)7-5-12)19(25)16(11)17(23)15-3-2-8-26-15/h2-8,25H,10H2,1H3
InChIKeyYPKLTTVQXIUUKM-UHFFFAOYSA-N
XLogP2.75
TPSA96.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile (CID 19117766) is 1-[(4-fluorophenyl)methyl]-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is Cc1c(C(=O)c2ccco2)c(O)n(Cc2ccc(F)cc2)c(=O)c1C#N.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is YPKLTTVQXIUUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O4/c1-11-14(9-21)18(24)22(10-12-4-6-13(20)7-5-12)19(25)16(11)17(23)15-3-2-8-26-15/h2-8,25H,10H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile?
1-[(4-fluorophenyl)methyl]-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 352.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-(furan-2-carbonyl)-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19117766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).