[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate

C11H15N3O4 — CID 4990

💊View drug profile → pyricarbate
IUPAC[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1cccc(COC(=O)NC)n1
InChIInChI=1S/C11H15N3O4/c1-12-10(15)17-6-8-4-3-5-9(14-8)7-18-11(16)13-2/h3-5H,6-7H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyYEKQSSHBERGOJK-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.79
Rot. Bonds4

About [6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate

[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate (PubChem CID 4990) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is [6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate.

Molecular Properties

Compound Name[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate
PubChem CID4990
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate
SMILESCNC(=O)OCc1cccc(COC(=O)NC)n1
InChIInChI=1S/C11H15N3O4/c1-12-10(15)17-6-8-4-3-5-9(14-8)7-18-11(16)13-2/h3-5H,6-7H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyYEKQSSHBERGOJK-UHFFFAOYSA-N
XLogP0.79
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

hydron;[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate;chloride
CID 664418
[2-(methylcarbamoyloxymethyl)-1,3-thiazol-4-yl]methyl N-methylcarbamate
CID 154352464
[3-(methylcarbamoylamino)phenyl]methyl N-methylcarbamate
CID 134123018
anthracen-9-ylmethyl N-methylcarbamate
CID 90378707
[6-(phenoxycarbonyloxymethyl)-2-pyridinyl]methyl phenyl carbonate
CID 165352260
3-methyl-2-[(6-methyl-2-pyridinyl)methoxycarbonylamino]butanoic acid
CID 18939663
1-benzothiophen-2-ylmethyl N-methylcarbamate
CID 23548760
(3-phenoxyphenyl)methyl N-methylcarbamate
CID 23548707
(6-propan-2-yl-2-pyridinyl)methyl carbamate
CID 175093258
(2-propan-2-ylphenyl)methyl N-methylcarbamate
CID 19987801
furan-3-ylmethyl N-methylcarbamate
CID 57025329
(3-methyl-4-oxoquinazolin-2-yl)methyl N-methylcarbamate
CID 71362008

Frequently Asked Questions

What is the IUPAC name of [6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate?
The IUPAC name of [6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate (CID 4990) is [6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate.
What is the SMILES notation for [6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate?
The canonical SMILES for [6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate is CNC(=O)OCc1cccc(COC(=O)NC)n1.
What is the InChIKey of [6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate?
The InChIKey is YEKQSSHBERGOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-12-10(15)17-6-8-4-3-5-9(14-8)7-18-11(16)13-2/h3-5H,6-7H2,1-2H3,(H,12,15)(H,13,16).
What are the key properties of [6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate?
[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate has a molecular weight of 253.26 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate is sourced from PubChem (CID 4990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).