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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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).