2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate

C15H22N2O2 — CID 142525457

IUPAC2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate
SMILESC=Cc1ccc(NC(=O)OCC(C)C(C)C)nc1C
InChIInChI=1S/C15H22N2O2/c1-6-13-7-8-14(16-12(13)5)17-15(18)19-9-11(4)10(2)3/h6-8,10-11H,1,9H2,2-5H3,(H,16,17,18)
InChIKeyDIENLSGRJSJWME-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.87
Rot. Bonds5

About 2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate

2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate (PubChem CID 142525457) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate.

Molecular Properties

Compound Name2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate
PubChem CID142525457
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate
SMILESC=Cc1ccc(NC(=O)OCC(C)C(C)C)nc1C
InChIInChI=1S/C15H22N2O2/c1-6-13-7-8-14(16-12(13)5)17-15(18)19-9-11(4)10(2)3/h6-8,10-11H,1,9H2,2-5H3,(H,16,17,18)
InChIKeyDIENLSGRJSJWME-UHFFFAOYSA-N
XLogP3.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)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 2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate?
The IUPAC name of 2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate (CID 142525457) is 2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate.
What is the SMILES notation for 2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate?
The canonical SMILES for 2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate is C=Cc1ccc(NC(=O)OCC(C)C(C)C)nc1C.
What is the InChIKey of 2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate?
The InChIKey is DIENLSGRJSJWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-6-13-7-8-14(16-12(13)5)17-15(18)19-9-11(4)10(2)3/h6-8,10-11H,1,9H2,2-5H3,(H,16,17,18).
What are the key properties of 2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate?
2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate has a molecular weight of 262.35 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutyl N-(5-ethenyl-6-methyl-2-pyridinyl)carbamate is sourced from PubChem (CID 142525457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).