tert-butyl N-[[3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate

C20H23N3O3 — CID 164563751

IUPACtert-butyl N-[[3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(-c2ccnc3c2CCC(=O)N3)c1
InChIInChI=1S/C20H23N3O3/c1-20(2,3)26-19(25)22-12-13-5-4-6-14(11-13)15-9-10-21-18-16(15)7-8-17(24)23-18/h4-6,9-11H,7-8,12H2,1-3H3,(H,22,25)(H,21,23,24)
InChIKeyUINUZAWZMGTNIL-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.66
Rot. Bonds3

About tert-butyl N-[[3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate

tert-butyl N-[[3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate (PubChem CID 164563751) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is tert-butyl N-[[3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate
PubChem CID164563751
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Nametert-butyl N-[[3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(-c2ccnc3c2CCC(=O)N3)c1
InChIInChI=1S/C20H23N3O3/c1-20(2,3)26-19(25)22-12-13-5-4-6-14(11-13)15-9-10-21-18-16(15)7-8-17(24)23-18/h4-6,9-11H,7-8,12H2,1-3H3,(H,22,25)(H,21,23,24)
InChIKeyUINUZAWZMGTNIL-UHFFFAOYSA-N
XLogP3.66
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate with MolForge

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Related Compounds

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tert-butyl N-[[3-[3-(aminomethyl)phenyl]phenyl]methyl]carbamate
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tert-butyl N-[[3-(3-carbamoylphenyl)phenyl]methyl]carbamate
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tert-butyl N-[[3-(5-carbamoyl-2-chlorophenyl)phenyl]methyl]carbamate
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tert-butyl N-[[3-[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)pyrimidin-5-yl]phenyl]methyl]carbamate
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tert-butyl N-[[3-[5-(hydroxymethyl)-1-benzofuran-7-yl]phenyl]methyl]carbamate;ethane
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tert-butyl N-[[3-(2-hydroxyethoxy)phenyl]methyl]carbamate
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tert-butyl N-[[3-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methylsulfamoyl]carbamate
CID 164563691
4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyridine-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate (CID 164563751) is tert-butyl N-[[3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cccc(-c2ccnc3c2CCC(=O)N3)c1.
What is the InChIKey of tert-butyl N-[[3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate?
The InChIKey is UINUZAWZMGTNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-20(2,3)26-19(25)22-12-13-5-4-6-14(11-13)15-9-10-21-18-16(15)7-8-17(24)23-18/h4-6,9-11H,7-8,12H2,1-3H3,(H,22,25)(H,21,23,24).
What are the key properties of tert-butyl N-[[3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate?
tert-butyl N-[[3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate has a molecular weight of 353.42 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate is sourced from PubChem (CID 164563751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).