2-methoxyethyl 4-methyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylate

C19H19N3O3 — CID 18470736

IUPAC2-methoxyethyl 4-methyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylate
SMILESCOCCOC(=O)c1c(-c2ccncc2)[nH]c(-c2ccncc2)c1C
InChIInChI=1S/C19H19N3O3/c1-13-16(19(23)25-12-11-24-2)18(15-5-9-21-10-6-15)22-17(13)14-3-7-20-8-4-14/h3-10,22H,11-12H2,1-2H3
InChIKeyZUOOIRRDMPIIJM-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.25
Rot. Bonds6

About 2-methoxyethyl 4-methyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylate

2-methoxyethyl 4-methyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylate (PubChem CID 18470736) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-methoxyethyl 4-methyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 4-methyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylate
PubChem CID18470736
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-methoxyethyl 4-methyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylate
SMILESCOCCOC(=O)c1c(-c2ccncc2)[nH]c(-c2ccncc2)c1C
InChIInChI=1S/C19H19N3O3/c1-13-16(19(23)25-12-11-24-2)18(15-5-9-21-10-6-15)22-17(13)14-3-7-20-8-4-14/h3-10,22H,11-12H2,1-2H3
InChIKeyZUOOIRRDMPIIJM-UHFFFAOYSA-N
XLogP3.25
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-methyl-2-(4-methylsulfanylphenyl)-5-pyridin-4-yl-1H-pyrrol-3-yl]ethanone
CID 54035327
ethyl 4-methyl-2-pyridin-4-yl-1H-pyrrole-3-carboxylate
CID 134861602
4-butyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylic acid
CID 142785656
bis(2-methoxyethyl) 3,6-dihydroxybenzene-1,2-dicarboxylate
CID 15500945
2-methoxyethyl 4-chloropyridine-3-carboxylate
CID 115885964
2-O-ethyl 4-O-(2-methoxyethyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2554554
2-methoxyethyl 2,6-dimethyl-5-nitro-4-pyridin-4-yl-1,4-dihydropyridine-3-carboxylate
CID 10544615
tetraethyl 4-pyridin-4-ylpyridine-2,3,5,6-tetracarboxylate
CID 4086243
2-methoxyethyl 2,6-dimethyl-4-(2-nitrophenyl)-5-(pyridin-4-ylmethylcarbamoyl)pyridine-3-carboxylate
CID 163381594
ethyl 2-fluoro-3,6-dipyridin-4-ylbenzoate
CID 46317978
2-methoxyethyl 5-methylthiophene-2-carboxylate
CID 78830752
2-O-(4-chloro-2-methylphenyl) 4-O-(2-methoxyethyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 55755697

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-methyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylate?
The IUPAC name of 2-methoxyethyl 4-methyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylate (CID 18470736) is 2-methoxyethyl 4-methyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylate.
What is the SMILES notation for 2-methoxyethyl 4-methyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylate?
The canonical SMILES for 2-methoxyethyl 4-methyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylate is COCCOC(=O)c1c(-c2ccncc2)[nH]c(-c2ccncc2)c1C.
What is the InChIKey of 2-methoxyethyl 4-methyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylate?
The InChIKey is ZUOOIRRDMPIIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13-16(19(23)25-12-11-24-2)18(15-5-9-21-10-6-15)22-17(13)14-3-7-20-8-4-14/h3-10,22H,11-12H2,1-2H3.
What are the key properties of 2-methoxyethyl 4-methyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylate?
2-methoxyethyl 4-methyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-methyl-2,5-dipyridin-4-yl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 18470736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).