pyridin-3-ylmethyl N-butylcarbamate

C11H16N2O2 — CID 14002804

IUPACpyridin-3-ylmethyl N-butylcarbamate
SMILESCCCCNC(=O)OCc1cccnc1
InChIInChI=1S/C11H16N2O2/c1-2-3-7-13-11(14)15-9-10-5-4-6-12-8-10/h4-6,8H,2-3,7,9H2,1H3,(H,13,14)
InChIKeyGBTNTSPTPCRBCF-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.11
Rot. Bonds5

About pyridin-3-ylmethyl N-butylcarbamate

pyridin-3-ylmethyl N-butylcarbamate (PubChem CID 14002804) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is pyridin-3-ylmethyl N-butylcarbamate.

Molecular Properties

Compound Namepyridin-3-ylmethyl N-butylcarbamate
PubChem CID14002804
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namepyridin-3-ylmethyl N-butylcarbamate
SMILESCCCCNC(=O)OCc1cccnc1
InChIInChI=1S/C11H16N2O2/c1-2-3-7-13-11(14)15-9-10-5-4-6-12-8-10/h4-6,8H,2-3,7,9H2,1H3,(H,13,14)
InChIKeyGBTNTSPTPCRBCF-UHFFFAOYSA-N
XLogP2.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

pyridin-3-ylmethyl N-(2-butylsulfonylethyl)carbamate
CID 71083907
N-butyl-N'-(pyridin-3-ylmethyl)oxamide
CID 21212895
pyridin-3-ylmethyl hexatetracontanoate
CID 102180878
methyl N-(4-pyridin-3-ylbutyl)carbamate
CID 110661300
3-butyl-1-methyl-1-(pyridin-3-ylmethyl)urea
CID 78786414
N-butyl-2-(pyridin-3-ylmethylamino)acetamide
CID 60671469
N-butyl-2,2-dimethyl-N'-(pyridin-3-ylmethyl)propanediamide
CID 108957797
pyridin-3-ylmethyl 2-propylpentanoate
CID 10243172
benzyl N-[5-amino-6-(butylamino)-6-oxohexyl]carbamate
CID 156743341
2-[(2-amino-1-pyridin-3-ylethyl)amino]ethyl N-butylcarbamate
CID 157252146
benzyl N-(4-pyridin-3-ylbut-3-ynyl)carbamate
CID 170461928
pyridin-3-ylmethyl 2-ethylbutanoate
CID 78841882

Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyl N-butylcarbamate?
The IUPAC name of pyridin-3-ylmethyl N-butylcarbamate (CID 14002804) is pyridin-3-ylmethyl N-butylcarbamate.
What is the SMILES notation for pyridin-3-ylmethyl N-butylcarbamate?
The canonical SMILES for pyridin-3-ylmethyl N-butylcarbamate is CCCCNC(=O)OCc1cccnc1.
What is the InChIKey of pyridin-3-ylmethyl N-butylcarbamate?
The InChIKey is GBTNTSPTPCRBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-3-7-13-11(14)15-9-10-5-4-6-12-8-10/h4-6,8H,2-3,7,9H2,1H3,(H,13,14).
What are the key properties of pyridin-3-ylmethyl N-butylcarbamate?
pyridin-3-ylmethyl N-butylcarbamate has a molecular weight of 208.26 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylmethyl N-butylcarbamate is sourced from PubChem (CID 14002804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).