tert-butyl 4-(2-azaspiro[3.3]heptan-6-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

C19H27N3O3 — CID 176925078

IUPACtert-butyl 4-(2-azaspiro[3.3]heptan-6-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2nccc(OC3CC4(CNC4)C3)c2C1
InChIInChI=1S/C19H27N3O3/c1-18(2,3)25-17(23)22-7-5-15-14(10-22)16(4-6-21-15)24-13-8-19(9-13)11-20-12-19/h4,6,13,20H,5,7-12H2,1-3H3
InChIKeyLICNEKISGWLWBQ-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.51
Rot. Bonds2

About tert-butyl 4-(2-azaspiro[3.3]heptan-6-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate

tert-butyl 4-(2-azaspiro[3.3]heptan-6-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate (PubChem CID 176925078) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is tert-butyl 4-(2-azaspiro[3.3]heptan-6-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-azaspiro[3.3]heptan-6-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
PubChem CID176925078
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Nametert-butyl 4-(2-azaspiro[3.3]heptan-6-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2nccc(OC3CC4(CNC4)C3)c2C1
InChIInChI=1S/C19H27N3O3/c1-18(2,3)25-17(23)22-7-5-15-14(10-22)16(4-6-21-15)24-13-8-19(9-13)11-20-12-19/h4,6,13,20H,5,7-12H2,1-3H3
InChIKeyLICNEKISGWLWBQ-UHFFFAOYSA-N
XLogP2.51
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-(2-azaspiro[3.3]heptan-6-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate with MolForge

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Related Compounds

tert-butyl 4-iodo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 130120542
tert-butyl 4-[[2-[3-[2-[ethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyridazin-4-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 176924322
tert-butyl 4-(1H-indol-5-yloxy)-5,6,7,9-tetrahydropyrido[2,3-c]azepine-8-carboxylate
CID 59394123
tert-butyl 8-[(2-phenylmethoxycarbonyl-2-azaspiro[3.3]heptan-6-yl)oxy]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 176923168
tert-butyl 10-chloro-5-oxo-1,2,4,6-tetrahydropyrido[3,4-c][1,8]naphthyridine-3-carboxylate
CID 58564228
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939891
tert-butyl 4-[1-[5-[2-[cyanomethyl(propan-2-yl)carbamoyl]-4-fluorophenoxy]pyrimidin-4-yl]piperidin-4-yl]oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 176924624
tert-butyl 3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 161113492
tert-butyl 5-(2-hydroxyethyl)-4-[(2-phenylmethoxycarbonyl-2-azaspiro[3.3]heptan-6-yl)oxy]-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 176925224
tert-butyl 4-[[2-[6-[2-[(3,3-difluorocyclobutyl)-propan-2-ylcarbamoyl]-4-fluorophenoxy]-1,2,4-triazin-5-yl]-2-azaspiro[3.3]heptan-6-yl]oxy]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
CID 176923284
3-[4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-5-yl]propan-1-ol;ethane
CID 176924412
CID 176924165
CID 176924165

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-azaspiro[3.3]heptan-6-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The IUPAC name of tert-butyl 4-(2-azaspiro[3.3]heptan-6-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate (CID 176925078) is tert-butyl 4-(2-azaspiro[3.3]heptan-6-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-azaspiro[3.3]heptan-6-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The canonical SMILES for tert-butyl 4-(2-azaspiro[3.3]heptan-6-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate is CC(C)(C)OC(=O)N1CCc2nccc(OC3CC4(CNC4)C3)c2C1.
What is the InChIKey of tert-butyl 4-(2-azaspiro[3.3]heptan-6-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
The InChIKey is LICNEKISGWLWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-18(2,3)25-17(23)22-7-5-15-14(10-22)16(4-6-21-15)24-13-8-19(9-13)11-20-12-19/h4,6,13,20H,5,7-12H2,1-3H3.
What are the key properties of tert-butyl 4-(2-azaspiro[3.3]heptan-6-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate?
tert-butyl 4-(2-azaspiro[3.3]heptan-6-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate has a molecular weight of 345.44 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-azaspiro[3.3]heptan-6-yloxy)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate is sourced from PubChem (CID 176925078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).