tert-butyl N-[3-[(6-oxo-1-propyl-3-pyridinyl)amino]cyclobutyl]carbamate

C17H27N3O3 — CID 103759555

IUPACtert-butyl N-[3-[(6-oxo-1-propyl-3-pyridinyl)amino]cyclobutyl]carbamate
SMILESCCCn1cc(NC2CC(NC(=O)OC(C)(C)C)C2)ccc1=O
InChIInChI=1S/C17H27N3O3/c1-5-8-20-11-12(6-7-15(20)21)18-13-9-14(10-13)19-16(22)23-17(2,3)4/h6-7,11,13-14,18H,5,8-10H2,1-4H3,(H,19,22)
InChIKeyZUAZQPFESZHVIR-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.73
Rot. Bonds5

About tert-butyl N-[3-[(6-oxo-1-propyl-3-pyridinyl)amino]cyclobutyl]carbamate

tert-butyl N-[3-[(6-oxo-1-propyl-3-pyridinyl)amino]cyclobutyl]carbamate (PubChem CID 103759555) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is tert-butyl N-[3-[(6-oxo-1-propyl-3-pyridinyl)amino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(6-oxo-1-propyl-3-pyridinyl)amino]cyclobutyl]carbamate
PubChem CID103759555
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Nametert-butyl N-[3-[(6-oxo-1-propyl-3-pyridinyl)amino]cyclobutyl]carbamate
SMILESCCCn1cc(NC2CC(NC(=O)OC(C)(C)C)C2)ccc1=O
InChIInChI=1S/C17H27N3O3/c1-5-8-20-11-12(6-7-15(20)21)18-13-9-14(10-13)19-16(22)23-17(2,3)4/h6-7,11,13-14,18H,5,8-10H2,1-4H3,(H,19,22)
InChIKeyZUAZQPFESZHVIR-UHFFFAOYSA-N
XLogP2.73
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[3-[(6-oxo-1-propyl-3-pyridinyl)amino]cyclobutyl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-[3-(3,5-difluoroanilino)cyclobutyl]carbamate
CID 80559388
tert-butyl N-[3-(3,4-dichloroanilino)cyclobutyl]carbamate
CID 80559110
tert-butyl N-[3-[4-[(2-methoxyacetyl)amino]anilino]cyclobutyl]carbamate
CID 113256330
tert-butyl N-[3-(3-propoxyanilino)cyclobutyl]carbamate
CID 103759438
tert-butyl N-[3-[(3-ethyl-1-methylpyrazol-4-yl)amino]cyclobutyl]carbamate
CID 107462484
tert-butyl N-[3-(4-ethylanilino)cyclohexyl]carbamate
CID 103720022
tert-butyl N-[3-(3-bromo-4-chloroanilino)cyclobutyl]carbamate
CID 80560979
tert-butyl N-[3-(2,6-dibromoanilino)cyclobutyl]carbamate
CID 107597184
tert-butyl N-[3-(4-acetamidoanilino)cyclohexyl]carbamate
CID 113247856
tert-butyl N-[3-(2-ethyl-6-methylanilino)cyclobutyl]carbamate
CID 103759544
tert-butyl N-[3-[3-(diethylaminomethyl)anilino]cyclobutyl]carbamate
CID 113256335
tert-butyl N-[3-[3-(2-oxopyrrolidin-1-yl)anilino]cyclobutyl]carbamate
CID 113256308

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(6-oxo-1-propyl-3-pyridinyl)amino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(6-oxo-1-propyl-3-pyridinyl)amino]cyclobutyl]carbamate (CID 103759555) is tert-butyl N-[3-[(6-oxo-1-propyl-3-pyridinyl)amino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(6-oxo-1-propyl-3-pyridinyl)amino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(6-oxo-1-propyl-3-pyridinyl)amino]cyclobutyl]carbamate is CCCn1cc(NC2CC(NC(=O)OC(C)(C)C)C2)ccc1=O.
What is the InChIKey of tert-butyl N-[3-[(6-oxo-1-propyl-3-pyridinyl)amino]cyclobutyl]carbamate?
The InChIKey is ZUAZQPFESZHVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-5-8-20-11-12(6-7-15(20)21)18-13-9-14(10-13)19-16(22)23-17(2,3)4/h6-7,11,13-14,18H,5,8-10H2,1-4H3,(H,19,22).
What are the key properties of tert-butyl N-[3-[(6-oxo-1-propyl-3-pyridinyl)amino]cyclobutyl]carbamate?
tert-butyl N-[3-[(6-oxo-1-propyl-3-pyridinyl)amino]cyclobutyl]carbamate has a molecular weight of 321.42 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(6-oxo-1-propyl-3-pyridinyl)amino]cyclobutyl]carbamate is sourced from PubChem (CID 103759555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).