[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydrochloride

C19H22Cl2N2O5 — CID 3041829

IUPAC[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydrochloride
SMILESCNC(=O)OCc1cccc(COC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1.Cl
InChIInChI=1S/C19H21ClN2O5.ClH/c1-19(2,27-16-9-7-13(20)8-10-16)17(23)25-11-14-5-4-6-15(22-14)12-26-18(24)21-3;/h4-10H,11-12H2,1-3H3,(H,21,24);1H
InChIKeyCMDGNZWXLHXIDG-UHFFFAOYSA-N
MW429.30 g/mol
LogP3.91
Rot. Bonds7

About [6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydrochloride

[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydrochloride (PubChem CID 3041829) has the molecular formula C19H22Cl2N2O5 and a molecular weight of 429.30 g/mol. Its IUPAC name is [6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Name[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydrochloride
PubChem CID3041829
Molecular FormulaC19H22Cl2N2O5
Molecular Weight429.30 g/mol
Exact Mass428.09
IUPAC Name[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydrochloride
SMILESCNC(=O)OCc1cccc(COC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1.Cl
InChIInChI=1S/C19H21ClN2O5.ClH/c1-19(2,27-16-9-7-13(20)8-10-16)17(23)25-11-14-5-4-6-15(22-14)12-26-18(24)21-3;/h4-10H,11-12H2,1-3H3,(H,21,24);1H
InChIKeyCMDGNZWXLHXIDG-UHFFFAOYSA-N
XLogP3.91
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.30
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydrochloride with MolForge

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Related Compounds

Pirifibrate
CID 68720
Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, (6-((((methylamino)carbonyl)oxy)methyl)-2-pyridinyl)methyl ester
CID 3041830
Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, (6-(hydroxymethyl)-2-pyridinyl)methyl ester, hydrochloride (1:1)
CID 159914
2-(4-chlorophenoxy)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 893182
N-[3-[[2-(4-chloro-3-fluorophenoxy)-3-oxopropyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(6-methyl-2-pyridinyl)methoxy]acetamide
CID 132103177
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-2-[(6-methyl-2-pyridinyl)methoxy]acetamide
CID 138610768
2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-[(2,6-dimethyl-4-pyridinyl)oxy]acetyl]amino]-3-hydroxybutyl]acetamide
CID 138632760
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1,3-dimethylcyclobutyl]-2-[(6-methyl-2-pyridinyl)methoxy]acetamide
CID 155303197
Tert-butyl 3-[6-[(4-chloro-2-fluorophenoxy)methyl]-5-fluoro-2-pyridinyl]-2,5-dihydropyrrole-1-carboxylate
CID 166114280
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[2-(2,6-dimethyl-4-pyridinyl)ethyl]pent-4-enamide
CID 166896112
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(6-methoxy-2-pyridinyl)methyl]pent-4-enamide
CID 166896157
4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[(2,6-dimethyl-3-pyridinyl)methyl]pent-4-enamide
CID 166896238

Frequently Asked Questions

What is the IUPAC name of [6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydrochloride?
The IUPAC name of [6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydrochloride (CID 3041829) is [6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydrochloride.
What is the SMILES notation for [6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydrochloride?
The canonical SMILES for [6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydrochloride is CNC(=O)OCc1cccc(COC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1.Cl.
What is the InChIKey of [6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydrochloride?
The InChIKey is CMDGNZWXLHXIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5.ClH/c1-19(2,27-16-9-7-13(20)8-10-16)17(23)25-11-14-5-4-6-15(22-14)12-26-18(24)21-3;/h4-10H,11-12H2,1-3H3,(H,21,24);1H.
What are the key properties of [6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydrochloride?
[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydrochloride has a molecular weight of 429.30 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate;hydrochloride is sourced from PubChem (CID 3041829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).