methyl 2-[[3-[(2,4-difluorophenyl)methylcarbamoyl]-1-hydroxy-2-oxo-1,8-naphthyridin-4-yl]amino]acetate

C19H16F2N4O5 — CID 90644689

IUPACmethyl 2-[[3-[(2,4-difluorophenyl)methylcarbamoyl]-1-hydroxy-2-oxo-1,8-naphthyridin-4-yl]amino]acetate
SMILESCOC(=O)CNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12
InChIInChI=1S/C19H16F2N4O5/c1-30-14(26)9-23-16-12-3-2-6-22-17(12)25(29)19(28)15(16)18(27)24-8-10-4-5-11(20)7-13(10)21/h2-7,23,29H,8-9H2,1H3,(H,24,27)
InChIKeyDPDVGSIUVKMEDW-UHFFFAOYSA-N
MW418.36 g/mol
LogP1.43
Rot. Bonds6

About methyl 2-[[3-[(2,4-difluorophenyl)methylcarbamoyl]-1-hydroxy-2-oxo-1,8-naphthyridin-4-yl]amino]acetate

methyl 2-[[3-[(2,4-difluorophenyl)methylcarbamoyl]-1-hydroxy-2-oxo-1,8-naphthyridin-4-yl]amino]acetate (PubChem CID 90644689) has the molecular formula C19H16F2N4O5 and a molecular weight of 418.36 g/mol. Its IUPAC name is methyl 2-[[3-[(2,4-difluorophenyl)methylcarbamoyl]-1-hydroxy-2-oxo-1,8-naphthyridin-4-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-[(2,4-difluorophenyl)methylcarbamoyl]-1-hydroxy-2-oxo-1,8-naphthyridin-4-yl]amino]acetate
PubChem CID90644689
Molecular FormulaC19H16F2N4O5
Molecular Weight418.36 g/mol
Exact Mass418.11
IUPAC Namemethyl 2-[[3-[(2,4-difluorophenyl)methylcarbamoyl]-1-hydroxy-2-oxo-1,8-naphthyridin-4-yl]amino]acetate
SMILESCOC(=O)CNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12
InChIInChI=1S/C19H16F2N4O5/c1-30-14(26)9-23-16-12-3-2-6-22-17(12)25(29)19(28)15(16)18(27)24-8-10-4-5-11(20)7-13(10)21/h2-7,23,29H,8-9H2,1H3,(H,24,27)
InChIKeyDPDVGSIUVKMEDW-UHFFFAOYSA-N
XLogP1.43
TPSA122.55 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.36
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze methyl 2-[[3-[(2,4-difluorophenyl)methylcarbamoyl]-1-hydroxy-2-oxo-1,8-naphthyridin-4-yl]amino]acetate with MolForge

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Related Compounds

Methyl 3-[5-amino-6-[(2,4-difluorophenyl)methylcarbamoyl]-8-hydroxy-7-oxo-1,8-naphthyridin-3-yl]propanoate
CID 117696953
HIV-1 integrase inhibitor 3
CID 117697114
4-azanyl-~{N}-[[2,4-bis(fluoranyl)phenyl]methyl]-6-[3-(dimethylamino)-3-oxidanylidene-propyl]-1-oxidanyl-2-oxidanylidene-1,8-naphthyridine-3-carboxamide
CID 117706875
Methyl 3-[6-[(2,4-difluorophenyl)methylcarbamoyl]-8-hydroxy-5-(2-hydroxyethylamino)-7-oxo-1,8-naphthyridin-3-yl]propanoate
CID 117697543
3-[5-Amino-6-[(2,4-difluorophenyl)methylcarbamoyl]-8-hydroxy-7-oxo-1,8-naphthyridin-3-yl]propyl acetate
CID 117706872
N-Cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 7620725
N-cyclohexyl-1-(4-fluorobenzyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
CID 7620714
N-[(3,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 76325481
N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 76336309
4-Amino-N-[(2,4-difluorophenyl)methyl]-1,2-dihydro-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 77461242
4-amino-6-(3-cyclohexylpropyl)-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 86291746
4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-2-oxo-6-(4-phenylbutyl)-1,8-naphthyridine-3-carboxamide
CID 86291747

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[(2,4-difluorophenyl)methylcarbamoyl]-1-hydroxy-2-oxo-1,8-naphthyridin-4-yl]amino]acetate?
The IUPAC name of methyl 2-[[3-[(2,4-difluorophenyl)methylcarbamoyl]-1-hydroxy-2-oxo-1,8-naphthyridin-4-yl]amino]acetate (CID 90644689) is methyl 2-[[3-[(2,4-difluorophenyl)methylcarbamoyl]-1-hydroxy-2-oxo-1,8-naphthyridin-4-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[3-[(2,4-difluorophenyl)methylcarbamoyl]-1-hydroxy-2-oxo-1,8-naphthyridin-4-yl]amino]acetate?
The canonical SMILES for methyl 2-[[3-[(2,4-difluorophenyl)methylcarbamoyl]-1-hydroxy-2-oxo-1,8-naphthyridin-4-yl]amino]acetate is COC(=O)CNc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2ncccc12.
What is the InChIKey of methyl 2-[[3-[(2,4-difluorophenyl)methylcarbamoyl]-1-hydroxy-2-oxo-1,8-naphthyridin-4-yl]amino]acetate?
The InChIKey is DPDVGSIUVKMEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O5/c1-30-14(26)9-23-16-12-3-2-6-22-17(12)25(29)19(28)15(16)18(27)24-8-10-4-5-11(20)7-13(10)21/h2-7,23,29H,8-9H2,1H3,(H,24,27).
What are the key properties of methyl 2-[[3-[(2,4-difluorophenyl)methylcarbamoyl]-1-hydroxy-2-oxo-1,8-naphthyridin-4-yl]amino]acetate?
methyl 2-[[3-[(2,4-difluorophenyl)methylcarbamoyl]-1-hydroxy-2-oxo-1,8-naphthyridin-4-yl]amino]acetate has a molecular weight of 418.36 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[(2,4-difluorophenyl)methylcarbamoyl]-1-hydroxy-2-oxo-1,8-naphthyridin-4-yl]amino]acetate is sourced from PubChem (CID 90644689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).