tert-butyl 3-(1,8-naphthyridin-2-yl)azetidine-1-carboxylate

C16H19N3O2 — CID 66641449

IUPACtert-butyl 3-(1,8-naphthyridin-2-yl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(c2ccc3cccnc3n2)C1
InChIInChI=1S/C16H19N3O2/c1-16(2,3)21-15(20)19-9-12(10-19)13-7-6-11-5-4-8-17-14(11)18-13/h4-8,12H,9-10H2,1-3H3
InChIKeyDJGFFEYOSBUWAE-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.96
Rot. Bonds1

About tert-butyl 3-(1,8-naphthyridin-2-yl)azetidine-1-carboxylate

tert-butyl 3-(1,8-naphthyridin-2-yl)azetidine-1-carboxylate (PubChem CID 66641449) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is tert-butyl 3-(1,8-naphthyridin-2-yl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1,8-naphthyridin-2-yl)azetidine-1-carboxylate
PubChem CID66641449
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Nametert-butyl 3-(1,8-naphthyridin-2-yl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(c2ccc3cccnc3n2)C1
InChIInChI=1S/C16H19N3O2/c1-16(2,3)21-15(20)19-9-12(10-19)13-7-6-11-5-4-8-17-14(11)18-13/h4-8,12H,9-10H2,1-3H3
InChIKeyDJGFFEYOSBUWAE-UHFFFAOYSA-N
XLogP2.96
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(5-bromo-2-pyridinyl)azetidine-1-carboxylate
CID 140882194
tert-butyl 3-(6-methylpyridazin-3-yl)azetidine-1-carboxylate
CID 168895574
tert-butyl 3-(3-phenyl-2-pyridinyl)azetidine-1-carboxylate
CID 58547347
tert-butyl 3-[3-(1,8-naphthyridin-2-yl)propoxymethyl]pyrrolidine-1-carboxylate
CID 146423056
lithium 6-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyridine-3-carboxylate
CID 138689723
cyclopentyl-[4-(1,8-naphthyridin-2-yl)piperidin-1-yl]methanone
CID 155941699
tert-butyl 3-[2-bromo-5-(1,8-naphthyridin-2-ylcarbamoyl)phenyl]sulfanylazetidine-1-carboxylate
CID 177047487
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 3-(2-quinolin-8-ylethylamino)azetidine-1-carboxylate
CID 113263719
tert-butyl 4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carboxylate
CID 22308646
tert-butyl 3,5-dimethyl-4-pyrimidin-2-ylpiperazine-1-carboxylate
CID 59406986
tert-butyl (3aS,6aR)-2-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 124585586

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1,8-naphthyridin-2-yl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1,8-naphthyridin-2-yl)azetidine-1-carboxylate (CID 66641449) is tert-butyl 3-(1,8-naphthyridin-2-yl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1,8-naphthyridin-2-yl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1,8-naphthyridin-2-yl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(c2ccc3cccnc3n2)C1.
What is the InChIKey of tert-butyl 3-(1,8-naphthyridin-2-yl)azetidine-1-carboxylate?
The InChIKey is DJGFFEYOSBUWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-16(2,3)21-15(20)19-9-12(10-19)13-7-6-11-5-4-8-17-14(11)18-13/h4-8,12H,9-10H2,1-3H3.
What are the key properties of tert-butyl 3-(1,8-naphthyridin-2-yl)azetidine-1-carboxylate?
tert-butyl 3-(1,8-naphthyridin-2-yl)azetidine-1-carboxylate has a molecular weight of 285.35 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1,8-naphthyridin-2-yl)azetidine-1-carboxylate is sourced from PubChem (CID 66641449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).