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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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).