tert-butyl 5-(5-hydroxy-7-oxo-8H-1,8-naphthyridin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

C18H21N3O4 — CID 171085553

IUPACtert-butyl 5-(5-hydroxy-7-oxo-8H-1,8-naphthyridin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC=C(c2ccc3c(O)cc(=O)[nH]c3n2)C1
InChIInChI=1S/C18H21N3O4/c1-18(2,3)25-17(24)21-8-4-5-11(10-21)13-7-6-12-14(22)9-15(23)20-16(12)19-13/h5-7,9H,4,8,10H2,1-3H3,(H2,19,20,22,23)
InChIKeyCSBKOZOSFBZDCN-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.65
Rot. Bonds1

About tert-butyl 5-(5-hydroxy-7-oxo-8H-1,8-naphthyridin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 5-(5-hydroxy-7-oxo-8H-1,8-naphthyridin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 171085553) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is tert-butyl 5-(5-hydroxy-7-oxo-8H-1,8-naphthyridin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(5-hydroxy-7-oxo-8H-1,8-naphthyridin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID171085553
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Nametert-butyl 5-(5-hydroxy-7-oxo-8H-1,8-naphthyridin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC=C(c2ccc3c(O)cc(=O)[nH]c3n2)C1
InChIInChI=1S/C18H21N3O4/c1-18(2,3)25-17(24)21-8-4-5-11(10-21)13-7-6-12-14(22)9-15(23)20-16(12)19-13/h5-7,9H,4,8,10H2,1-3H3,(H2,19,20,22,23)
InChIKeyCSBKOZOSFBZDCN-UHFFFAOYSA-N
XLogP2.65
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 5-(5-hydroxy-7-oxo-8H-1,8-naphthyridin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 5-(7-fluoro-6-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 171085749
tert-butyl 5-[1-(2,2-dimethylpropyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 71136196
tert-butyl 5-(5-nitro-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 178084020
tert-butyl 5-[7-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1,8-naphthyridin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 171085808
tert-butyl 5-pyridazin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 169312691
tert-butyl 5-(1H-pyrrol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 164584630
tert-butyl 5-(5-amino-4-carbamoyl-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 175925140
tert-butyl 5-(3-amino-2,6-dimethyl-4-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 146284987
tert-butyl 5-(1-methyl-2-oxo-3-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 166162669
tert-butyl 5-(7-cyano-6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 176569460
tert-butyl 5-(4-bromo-3-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170717033
tert-butyl 5-amino-3,6-dihydro-2H-pyridine-1-carboxylate
CID 146855386

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(5-hydroxy-7-oxo-8H-1,8-naphthyridin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 5-(5-hydroxy-7-oxo-8H-1,8-naphthyridin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 171085553) is tert-butyl 5-(5-hydroxy-7-oxo-8H-1,8-naphthyridin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-(5-hydroxy-7-oxo-8H-1,8-naphthyridin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 5-(5-hydroxy-7-oxo-8H-1,8-naphthyridin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CCC=C(c2ccc3c(O)cc(=O)[nH]c3n2)C1.
What is the InChIKey of tert-butyl 5-(5-hydroxy-7-oxo-8H-1,8-naphthyridin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is CSBKOZOSFBZDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-18(2,3)25-17(24)21-8-4-5-11(10-21)13-7-6-12-14(22)9-15(23)20-16(12)19-13/h5-7,9H,4,8,10H2,1-3H3,(H2,19,20,22,23).
What are the key properties of tert-butyl 5-(5-hydroxy-7-oxo-8H-1,8-naphthyridin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 5-(5-hydroxy-7-oxo-8H-1,8-naphthyridin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 343.38 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(5-hydroxy-7-oxo-8H-1,8-naphthyridin-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 171085553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).