tert-butyl N-[2,2-difluoro-3-(1,8-naphthyridin-2-yl)propyl]carbamate

C16H19F2N3O2 — CID 90325374

IUPACtert-butyl N-[2,2-difluoro-3-(1,8-naphthyridin-2-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(F)(F)Cc1ccc2cccnc2n1
InChIInChI=1S/C16H19F2N3O2/c1-15(2,3)23-14(22)20-10-16(17,18)9-12-7-6-11-5-4-8-19-13(11)21-12/h4-8H,9-10H2,1-3H3,(H,20,22)
InChIKeySDPSOVACJXCEFL-UHFFFAOYSA-N
MW323.34 g/mol
LogP3.33
Rot. Bonds4

About tert-butyl N-[2,2-difluoro-3-(1,8-naphthyridin-2-yl)propyl]carbamate

tert-butyl N-[2,2-difluoro-3-(1,8-naphthyridin-2-yl)propyl]carbamate (PubChem CID 90325374) has the molecular formula C16H19F2N3O2 and a molecular weight of 323.34 g/mol. Its IUPAC name is tert-butyl N-[2,2-difluoro-3-(1,8-naphthyridin-2-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2,2-difluoro-3-(1,8-naphthyridin-2-yl)propyl]carbamate
PubChem CID90325374
Molecular FormulaC16H19F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Nametert-butyl N-[2,2-difluoro-3-(1,8-naphthyridin-2-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(F)(F)Cc1ccc2cccnc2n1
InChIInChI=1S/C16H19F2N3O2/c1-15(2,3)23-14(22)20-10-16(17,18)9-12-7-6-11-5-4-8-19-13(11)21-12/h4-8H,9-10H2,1-3H3,(H,20,22)
InChIKeySDPSOVACJXCEFL-UHFFFAOYSA-N
XLogP3.33
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2,2-difluoro-3-(1,8-naphthyridin-2-yl)propyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2,2-difluoro-3-(1,8-naphthyridin-2-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[2,2-difluoro-3-(1,8-naphthyridin-2-yl)propyl]carbamate (CID 90325374) is tert-butyl N-[2,2-difluoro-3-(1,8-naphthyridin-2-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2,2-difluoro-3-(1,8-naphthyridin-2-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2,2-difluoro-3-(1,8-naphthyridin-2-yl)propyl]carbamate is CC(C)(C)OC(=O)NCC(F)(F)Cc1ccc2cccnc2n1.
What is the InChIKey of tert-butyl N-[2,2-difluoro-3-(1,8-naphthyridin-2-yl)propyl]carbamate?
The InChIKey is SDPSOVACJXCEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2/c1-15(2,3)23-14(22)20-10-16(17,18)9-12-7-6-11-5-4-8-19-13(11)21-12/h4-8H,9-10H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-[2,2-difluoro-3-(1,8-naphthyridin-2-yl)propyl]carbamate?
tert-butyl N-[2,2-difluoro-3-(1,8-naphthyridin-2-yl)propyl]carbamate has a molecular weight of 323.34 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2,2-difluoro-3-(1,8-naphthyridin-2-yl)propyl]carbamate is sourced from PubChem (CID 90325374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).