2-[[1-(2,3-difluorophenyl)-2,4-dihydroxy-5-(2-methylpropylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]acetic acid

C19H19F2N3O7 — CID 58238190

IUPAC2-[[1-(2,3-difluorophenyl)-2,4-dihydroxy-5-(2-methylpropylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]acetic acid
SMILESCC(C)CNC(=O)c1c(O)c(C(=O)NCC(=O)O)c(O)n(-c2cccc(F)c2F)c1=O
InChIInChI=1S/C19H19F2N3O7/c1-8(2)6-22-16(28)12-15(27)13(17(29)23-7-11(25)26)19(31)24(18(12)30)10-5-3-4-9(20)14(10)21/h3-5,8,27,31H,6-7H2,1-2H3,(H,22,28)(H,23,29)(H,25,26)
InChIKeyWBFIPDSGGABJPS-UHFFFAOYSA-N
MW439.37 g/mol
LogP0.73
Rot. Bonds7

About 2-[[1-(2,3-difluorophenyl)-2,4-dihydroxy-5-(2-methylpropylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]acetic acid

2-[[1-(2,3-difluorophenyl)-2,4-dihydroxy-5-(2-methylpropylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]acetic acid (PubChem CID 58238190) has the molecular formula C19H19F2N3O7 and a molecular weight of 439.37 g/mol. Its IUPAC name is 2-[[1-(2,3-difluorophenyl)-2,4-dihydroxy-5-(2-methylpropylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(2,3-difluorophenyl)-2,4-dihydroxy-5-(2-methylpropylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]acetic acid
PubChem CID58238190
Molecular FormulaC19H19F2N3O7
Molecular Weight439.37 g/mol
Exact Mass439.12
IUPAC Name2-[[1-(2,3-difluorophenyl)-2,4-dihydroxy-5-(2-methylpropylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]acetic acid
SMILESCC(C)CNC(=O)c1c(O)c(C(=O)NCC(=O)O)c(O)n(-c2cccc(F)c2F)c1=O
InChIInChI=1S/C19H19F2N3O7/c1-8(2)6-22-16(28)12-15(27)13(17(29)23-7-11(25)26)19(31)24(18(12)30)10-5-3-4-9(20)14(10)21/h3-5,8,27,31H,6-7H2,1-2H3,(H,22,28)(H,23,29)(H,25,26)
InChIKeyWBFIPDSGGABJPS-UHFFFAOYSA-N
XLogP0.73
TPSA157.96 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.37
LogP ≤ 50.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-[[1-(2,3-difluorophenyl)-2,4-dihydroxy-5-(2-methylpropylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]acetic acid with MolForge

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Related Compounds

2-fluoro-6-hydroxy-N-[(2R)-2-hydroxypropyl]benzamide
CID 104920570
2-[[1-[(2,3-difluorophenyl)methyl]-6-fluoro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 70316876
2-[[1-(2,6-dichlorophenyl)-3-(2,6-dimethylphenyl)-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 130351642
2-[[1-[(2,6-difluorophenyl)methyl]-4-hydroxy-2-oxopyrrolo[1,2-b]pyridazine-3-carbonyl]amino]acetic acid
CID 54751148
2-fluoro-N-(2-methylpropyl)-6-(trifluoromethyl)benzamide
CID 83405796
2-fluoro-6-hydroxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107015409
2-fluoro-6-hydroxy-N-(3-methyl-2-oxobutyl)benzamide
CID 104920523
2-[(5-fluoro-4-hydroxy-2-oxo-1-prop-2-enoxyquinoline-3-carbonyl)amino]acetic acid
CID 118451784
2-[[1-cyclohexyl-3-[(2,3-difluorophenyl)methyl]-4-hydroxy-2,6-dioxopyrimidine-5-carbonyl]amino]acetic acid
CID 24830878
(3S)-3-[[(2,6-dihydroxybenzoyl)amino]methyl]-5-methylhexanoic acid
CID 107688084
2-fluoro-6-hydroxy-N-(2,3,3-trimethylbutyl)benzamide
CID 104917625
N-(3-amino-2-methylpropyl)-2-fluoro-6-hydroxybenzamide
CID 107012883

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,3-difluorophenyl)-2,4-dihydroxy-5-(2-methylpropylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-(2,3-difluorophenyl)-2,4-dihydroxy-5-(2-methylpropylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]acetic acid (CID 58238190) is 2-[[1-(2,3-difluorophenyl)-2,4-dihydroxy-5-(2-methylpropylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(2,3-difluorophenyl)-2,4-dihydroxy-5-(2-methylpropylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-(2,3-difluorophenyl)-2,4-dihydroxy-5-(2-methylpropylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]acetic acid is CC(C)CNC(=O)c1c(O)c(C(=O)NCC(=O)O)c(O)n(-c2cccc(F)c2F)c1=O.
What is the InChIKey of 2-[[1-(2,3-difluorophenyl)-2,4-dihydroxy-5-(2-methylpropylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]acetic acid?
The InChIKey is WBFIPDSGGABJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N3O7/c1-8(2)6-22-16(28)12-15(27)13(17(29)23-7-11(25)26)19(31)24(18(12)30)10-5-3-4-9(20)14(10)21/h3-5,8,27,31H,6-7H2,1-2H3,(H,22,28)(H,23,29)(H,25,26).
What are the key properties of 2-[[1-(2,3-difluorophenyl)-2,4-dihydroxy-5-(2-methylpropylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]acetic acid?
2-[[1-(2,3-difluorophenyl)-2,4-dihydroxy-5-(2-methylpropylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]acetic acid has a molecular weight of 439.37 g/mol, XLogP of 0.73, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,3-difluorophenyl)-2,4-dihydroxy-5-(2-methylpropylcarbamoyl)-6-oxopyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 58238190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).