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

C19H21ClN2O5 — CID 3041830

IUPAC[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate
SMILESCNC(=O)OCc1cccc(COC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H21ClN2O5/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)
InChIKeyNQOQDAGXOLQDGW-UHFFFAOYSA-N
MW392.84 g/mol
LogP3.49
Rot. Bonds7

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

[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate (PubChem CID 3041830) has the molecular formula C19H21ClN2O5 and a molecular weight of 392.84 g/mol. Its IUPAC name is [6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate.

Molecular Properties

Compound Name[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate
PubChem CID3041830
Molecular FormulaC19H21ClN2O5
Molecular Weight392.84 g/mol
Exact Mass392.11
IUPAC Name[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate
SMILESCNC(=O)OCc1cccc(COC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C19H21ClN2O5/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)
InChIKeyNQOQDAGXOLQDGW-UHFFFAOYSA-N
XLogP3.49
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Pirifibrate
CID 68720
Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, (6-(hydroxymethyl)-2-pyridinyl)methyl ester, hydrochloride (1:1)
CID 159914
Propanoic acid, 2-(4-chlorophenoxy)-2-methyl-, (6-((((methylamino)carbonyl)oxy)methyl)-2-pyridinyl)methyl ester, hydrochloride
CID 3041829
2-(4-chlorophenoxy)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 893182
3-[5-Chloro-2-(6-trifluoromethyl-pyridin-2-ylmethoxy)-phenoxy]-azetidine-1-carboxylic acid tert-butyl ester
CID 67346103
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-[3-[[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]acetyl]amino]-3-methylcyclobuten-1-yl]acetamide
CID 138632269
2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-[(2,6-dimethyl-4-pyridinyl)oxy]acetyl]amino]-3-hydroxybutyl]acetamide
CID 138632760
2-(4-chloro-3-fluorophenoxy)-N-[(5S)-6-[[2-[(2,6-dimethyl-4-pyridinyl)oxy]acetyl]amino]-5-hydroxyhex-1-en-3-yl]acetamide
CID 155302757
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

Frequently Asked Questions

What is the IUPAC name of [6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate?
The IUPAC name of [6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate (CID 3041830) is [6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate.
What is the SMILES notation for [6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate?
The canonical SMILES for [6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate is CNC(=O)OCc1cccc(COC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1.
What is the InChIKey of [6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate?
The InChIKey is NQOQDAGXOLQDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5/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).
What are the key properties of [6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate?
[6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl 2-(4-chlorophenoxy)-2-methylpropanoate has a molecular weight of 392.84 g/mol, XLogP of 3.49, 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 is sourced from PubChem (CID 3041830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).