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

C11H16ClN3O4 — CID 664418

IUPAChydron;[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate;chloride
SMILESCNC(=O)OCc1cccc(COC(=O)NC)n1.[Cl-].[H+]
InChIInChI=1S/C11H15N3O4.ClH/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);1H
InChIKeyHRFLYRXEGCPAII-UHFFFAOYSA-N
MW289.72 g/mol
LogP-2.09
Rot. Bonds4

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

hydron;[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate;chloride (PubChem CID 664418) has the molecular formula C11H16ClN3O4 and a molecular weight of 289.72 g/mol. Its IUPAC name is hydron;[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate;chloride.

Molecular Properties

Compound Namehydron;[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate;chloride
PubChem CID664418
Molecular FormulaC11H16ClN3O4
Molecular Weight289.72 g/mol
Exact Mass289.08
IUPAC Namehydron;[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate;chloride
SMILESCNC(=O)OCc1cccc(COC(=O)NC)n1.[Cl-].[H+]
InChIInChI=1S/C11H15N3O4.ClH/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);1H
InChIKeyHRFLYRXEGCPAII-UHFFFAOYSA-N
XLogP-2.09
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 5-2.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of hydron;[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate;chloride?
The IUPAC name of hydron;[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate;chloride (CID 664418) is hydron;[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate;chloride.
What is the SMILES notation for hydron;[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate;chloride?
The canonical SMILES for hydron;[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate;chloride is CNC(=O)OCc1cccc(COC(=O)NC)n1.[Cl-].[H+].
What is the InChIKey of hydron;[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate;chloride?
The InChIKey is HRFLYRXEGCPAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4.ClH/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);1H.
What are the key properties of hydron;[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate;chloride?
hydron;[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate;chloride has a molecular weight of 289.72 g/mol, XLogP of -2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate;chloride is sourced from PubChem (CID 664418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).