tert-butyl N-[4-(1-ethoxyethyl)-1,5-naphthyridin-3-yl]carbamate

C17H23N3O3 — CID 163260744

IUPACtert-butyl N-[4-(1-ethoxyethyl)-1,5-naphthyridin-3-yl]carbamate
SMILESCCOC(C)c1c(NC(=O)OC(C)(C)C)cnc2cccnc12
InChIInChI=1S/C17H23N3O3/c1-6-22-11(2)14-13(20-16(21)23-17(3,4)5)10-19-12-8-7-9-18-15(12)14/h7-11H,6H2,1-5H3,(H,20,21)
InChIKeyCFIWBMANFNRHKR-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.07
Rot. Bonds4

About tert-butyl N-[4-(1-ethoxyethyl)-1,5-naphthyridin-3-yl]carbamate

tert-butyl N-[4-(1-ethoxyethyl)-1,5-naphthyridin-3-yl]carbamate (PubChem CID 163260744) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is tert-butyl N-[4-(1-ethoxyethyl)-1,5-naphthyridin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(1-ethoxyethyl)-1,5-naphthyridin-3-yl]carbamate
PubChem CID163260744
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Nametert-butyl N-[4-(1-ethoxyethyl)-1,5-naphthyridin-3-yl]carbamate
SMILESCCOC(C)c1c(NC(=O)OC(C)(C)C)cnc2cccnc12
InChIInChI=1S/C17H23N3O3/c1-6-22-11(2)14-13(20-16(21)23-17(3,4)5)10-19-12-8-7-9-18-15(12)14/h7-11H,6H2,1-5H3,(H,20,21)
InChIKeyCFIWBMANFNRHKR-UHFFFAOYSA-N
XLogP4.07
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(1-ethoxyethyl)-1,5-naphthyridin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(1-ethoxyethyl)-1,5-naphthyridin-3-yl]carbamate (CID 163260744) is tert-butyl N-[4-(1-ethoxyethyl)-1,5-naphthyridin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(1-ethoxyethyl)-1,5-naphthyridin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(1-ethoxyethyl)-1,5-naphthyridin-3-yl]carbamate is CCOC(C)c1c(NC(=O)OC(C)(C)C)cnc2cccnc12.
What is the InChIKey of tert-butyl N-[4-(1-ethoxyethyl)-1,5-naphthyridin-3-yl]carbamate?
The InChIKey is CFIWBMANFNRHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-6-22-11(2)14-13(20-16(21)23-17(3,4)5)10-19-12-8-7-9-18-15(12)14/h7-11H,6H2,1-5H3,(H,20,21).
What are the key properties of tert-butyl N-[4-(1-ethoxyethyl)-1,5-naphthyridin-3-yl]carbamate?
tert-butyl N-[4-(1-ethoxyethyl)-1,5-naphthyridin-3-yl]carbamate has a molecular weight of 317.39 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(1-ethoxyethyl)-1,5-naphthyridin-3-yl]carbamate is sourced from PubChem (CID 163260744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).