cyclopentyl N-methyl-N-(pyridin-3-ylmethyl)carbamate

C13H18N2O2 — CID 112738794

IUPACcyclopentyl N-methyl-N-(pyridin-3-ylmethyl)carbamate
SMILESCN(Cc1cccnc1)C(=O)OC1CCCC1
InChIInChI=1S/C13H18N2O2/c1-15(10-11-5-4-8-14-9-11)13(16)17-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3
InChIKeyHMLDIJNYCIYXLG-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.59
Rot. Bonds3

About cyclopentyl N-methyl-N-(pyridin-3-ylmethyl)carbamate

cyclopentyl N-methyl-N-(pyridin-3-ylmethyl)carbamate (PubChem CID 112738794) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is cyclopentyl N-methyl-N-(pyridin-3-ylmethyl)carbamate.

Molecular Properties

Compound Namecyclopentyl N-methyl-N-(pyridin-3-ylmethyl)carbamate
PubChem CID112738794
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Namecyclopentyl N-methyl-N-(pyridin-3-ylmethyl)carbamate
SMILESCN(Cc1cccnc1)C(=O)OC1CCCC1
InChIInChI=1S/C13H18N2O2/c1-15(10-11-5-4-8-14-9-11)13(16)17-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3
InChIKeyHMLDIJNYCIYXLG-UHFFFAOYSA-N
XLogP2.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 64824292
N-methyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide;dihydrochloride
CID 119958234
N-methyl-3-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110724694
2-(cyclopropylmethylamino)-N-methyl-N-(pyridin-3-ylmethyl)acetamide;dihydrochloride
CID 119958237
(2S)-N-methyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 61155587
(3-oxocyclobutyl) N-benzyl-N-methylcarbamate
CID 176797150
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
(2R)-1-[methyl(pyridin-3-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922741
2-cyclopentyloxy-N-(2-phenylethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 60558468
2-chloro-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 19420340
2-[methyl(pyridin-3-ylmethyl)carbamoyl]butanoic acid
CID 115186030
methyl 3-[methyl(pyridin-3-ylmethyl)amino]-3-oxopropanoate
CID 115174424

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-methyl-N-(pyridin-3-ylmethyl)carbamate?
The IUPAC name of cyclopentyl N-methyl-N-(pyridin-3-ylmethyl)carbamate (CID 112738794) is cyclopentyl N-methyl-N-(pyridin-3-ylmethyl)carbamate.
What is the SMILES notation for cyclopentyl N-methyl-N-(pyridin-3-ylmethyl)carbamate?
The canonical SMILES for cyclopentyl N-methyl-N-(pyridin-3-ylmethyl)carbamate is CN(Cc1cccnc1)C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl N-methyl-N-(pyridin-3-ylmethyl)carbamate?
The InChIKey is HMLDIJNYCIYXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(10-11-5-4-8-14-9-11)13(16)17-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10H2,1H3.
What are the key properties of cyclopentyl N-methyl-N-(pyridin-3-ylmethyl)carbamate?
cyclopentyl N-methyl-N-(pyridin-3-ylmethyl)carbamate has a molecular weight of 234.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-methyl-N-(pyridin-3-ylmethyl)carbamate is sourced from PubChem (CID 112738794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).