ethyl 6-[benzyl(methyl)carbamoyl]-1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate

C20H19N3O6 — CID 54735048

IUPACethyl 6-[benzyl(methyl)carbamoyl]-1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2cc(C(=O)N(C)Cc3ccccc3)cnc2n(O)c1=O
InChIInChI=1S/C20H19N3O6/c1-3-29-20(27)15-16(24)14-9-13(10-21-17(14)23(28)19(15)26)18(25)22(2)11-12-7-5-4-6-8-12/h4-10,24,28H,3,11H2,1-2H3
InChIKeyLQRYKSGMIYZXTH-UHFFFAOYSA-N
MW397.39 g/mol
LogP1.79
Rot. Bonds5

About ethyl 6-[benzyl(methyl)carbamoyl]-1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate

ethyl 6-[benzyl(methyl)carbamoyl]-1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 54735048) has the molecular formula C20H19N3O6 and a molecular weight of 397.39 g/mol. Its IUPAC name is ethyl 6-[benzyl(methyl)carbamoyl]-1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[benzyl(methyl)carbamoyl]-1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID54735048
Molecular FormulaC20H19N3O6
Molecular Weight397.39 g/mol
Exact Mass397.13
IUPAC Nameethyl 6-[benzyl(methyl)carbamoyl]-1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2cc(C(=O)N(C)Cc3ccccc3)cnc2n(O)c1=O
InChIInChI=1S/C20H19N3O6/c1-3-29-20(27)15-16(24)14-9-13(10-21-17(14)23(28)19(15)26)18(25)22(2)11-12-7-5-4-6-8-12/h4-10,24,28H,3,11H2,1-2H3
InChIKeyLQRYKSGMIYZXTH-UHFFFAOYSA-N
XLogP1.79
TPSA121.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[benzyl(methyl)carbamoyl]-1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 6-[benzyl(methyl)carbamoyl]-1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate (CID 54735048) is ethyl 6-[benzyl(methyl)carbamoyl]-1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[benzyl(methyl)carbamoyl]-1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[benzyl(methyl)carbamoyl]-1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c(O)c2cc(C(=O)N(C)Cc3ccccc3)cnc2n(O)c1=O.
What is the InChIKey of ethyl 6-[benzyl(methyl)carbamoyl]-1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is LQRYKSGMIYZXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O6/c1-3-29-20(27)15-16(24)14-9-13(10-21-17(14)23(28)19(15)26)18(25)22(2)11-12-7-5-4-6-8-12/h4-10,24,28H,3,11H2,1-2H3.
What are the key properties of ethyl 6-[benzyl(methyl)carbamoyl]-1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 6-[benzyl(methyl)carbamoyl]-1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 397.39 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[benzyl(methyl)carbamoyl]-1,4-dihydroxy-2-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 54735048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).