tert-butyl N-[1-[4-(6-ethyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate

C31H37N3O2 — CID 123698040

IUPACtert-butyl N-[1-[4-(6-ethyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate
SMILESCCN1CCc2nc(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)c(-c3ccccc3)cc2C1
InChIInChI=1S/C31H37N3O2/c1-5-34-19-16-27-24(21-34)20-26(22-10-7-6-8-11-22)28(32-27)23-12-14-25(15-13-23)31(17-9-18-31)33-29(35)36-30(2,3)4/h6-8,10-15,20H,5,9,16-19,21H2,1-4H3,(H,33,35)
InChIKeyBKRCPGWZMAWLHV-UHFFFAOYSA-N
MW483.66 g/mol
LogP6.70
Rot. Bonds5

About tert-butyl N-[1-[4-(6-ethyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate

tert-butyl N-[1-[4-(6-ethyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate (PubChem CID 123698040) has the molecular formula C31H37N3O2 and a molecular weight of 483.66 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(6-ethyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(6-ethyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate
PubChem CID123698040
Molecular FormulaC31H37N3O2
Molecular Weight483.66 g/mol
Exact Mass483.29
IUPAC Nametert-butyl N-[1-[4-(6-ethyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate
SMILESCCN1CCc2nc(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)c(-c3ccccc3)cc2C1
InChIInChI=1S/C31H37N3O2/c1-5-34-19-16-27-24(21-34)20-26(22-10-7-6-8-11-22)28(32-27)23-12-14-25(15-13-23)31(17-9-18-31)33-29(35)36-30(2,3)4/h6-8,10-15,20H,5,9,16-19,21H2,1-4H3,(H,33,35)
InChIKeyBKRCPGWZMAWLHV-UHFFFAOYSA-N
XLogP6.70
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.66
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 123557753
tert-butyl N-[1-[4-(6-chloro-3-phenyl-1,7-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate
CID 58524156
tert-butyl N-[1-[4-[5-hydroxy-6-(hydroxyamino)-3-phenylquinolin-2-yl]phenyl]cyclobutyl]carbamate
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tert-butyl N-[1-[4-[1-(cyanomethyl)-2,2-dioxo-7-phenylpyrido[3,2-e][1,3,4]oxathiazin-6-yl]phenyl]cyclobutyl]carbamate
CID 86683607
tert-butyl N-[1-[4-(3-methyl-7-phenylimidazo[1,2-b]pyridazin-6-yl)phenyl]cyclobutyl]carbamate
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tert-butyl N-[1-[4-(3-methyl-2-oxo-7-phenyl-1H-pyrido[2,3-b][1,4]oxazin-6-yl)phenyl]cyclobutyl]carbamate
CID 67255234
tert-butyl N-[1-[4-(1-cyclobutyl-2-oxo-7-phenylpyrido[2,3-b][1,4]oxazin-6-yl)phenyl]cyclobutyl]carbamate
CID 86683592
tert-butyl N-[1-[4-[1-(4-cyanobutyl)-2-oxo-7-phenylpyrido[2,3-b][1,4]oxazin-6-yl]phenyl]cyclobutyl]carbamate
CID 123705666
tert-butyl N-[1-[4-(4-phenyl-1,6,8,12-tetrazatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,8,11,13,15,17-octaen-5-yl)phenyl]cyclobutyl]carbamate
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tert-butyl N-[1-[4-[5-(iodoamino)-3-phenylcyclohepta[b]pyridin-2-yl]phenyl]cyclobutyl]carbamate
CID 89265260

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(6-ethyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(6-ethyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate (CID 123698040) is tert-butyl N-[1-[4-(6-ethyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(6-ethyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(6-ethyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate is CCN1CCc2nc(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)c(-c3ccccc3)cc2C1.
What is the InChIKey of tert-butyl N-[1-[4-(6-ethyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate?
The InChIKey is BKRCPGWZMAWLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O2/c1-5-34-19-16-27-24(21-34)20-26(22-10-7-6-8-11-22)28(32-27)23-12-14-25(15-13-23)31(17-9-18-31)33-29(35)36-30(2,3)4/h6-8,10-15,20H,5,9,16-19,21H2,1-4H3,(H,33,35).
What are the key properties of tert-butyl N-[1-[4-(6-ethyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate?
tert-butyl N-[1-[4-(6-ethyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate has a molecular weight of 483.66 g/mol, XLogP of 6.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(6-ethyl-3-phenyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate is sourced from PubChem (CID 123698040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).