methyl 1-(2-hydroxyethyl)-5-oxo-4-(3-pyridin-2-yloxyanilino)-2H-pyrrole-3-carboxylate

C19H19N3O5 — CID 168565140

IUPACmethyl 1-(2-hydroxyethyl)-5-oxo-4-(3-pyridin-2-yloxyanilino)-2H-pyrrole-3-carboxylate
SMILESCOC(=O)C1=C(Nc2cccc(Oc3ccccn3)c2)C(=O)N(CCO)C1
InChIInChI=1S/C19H19N3O5/c1-26-19(25)15-12-22(9-10-23)18(24)17(15)21-13-5-4-6-14(11-13)27-16-7-2-3-8-20-16/h2-8,11,21,23H,9-10,12H2,1H3
InChIKeyHNDYHGJJRIMMER-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.55
Rot. Bonds7

About methyl 1-(2-hydroxyethyl)-5-oxo-4-(3-pyridin-2-yloxyanilino)-2H-pyrrole-3-carboxylate

methyl 1-(2-hydroxyethyl)-5-oxo-4-(3-pyridin-2-yloxyanilino)-2H-pyrrole-3-carboxylate (PubChem CID 168565140) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is methyl 1-(2-hydroxyethyl)-5-oxo-4-(3-pyridin-2-yloxyanilino)-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-hydroxyethyl)-5-oxo-4-(3-pyridin-2-yloxyanilino)-2H-pyrrole-3-carboxylate
PubChem CID168565140
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Namemethyl 1-(2-hydroxyethyl)-5-oxo-4-(3-pyridin-2-yloxyanilino)-2H-pyrrole-3-carboxylate
SMILESCOC(=O)C1=C(Nc2cccc(Oc3ccccn3)c2)C(=O)N(CCO)C1
InChIInChI=1S/C19H19N3O5/c1-26-19(25)15-12-22(9-10-23)18(24)17(15)21-13-5-4-6-14(11-13)27-16-7-2-3-8-20-16/h2-8,11,21,23H,9-10,12H2,1H3
InChIKeyHNDYHGJJRIMMER-UHFFFAOYSA-N
XLogP1.55
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-hydroxyethyl)-5-oxo-4-(3-pyridin-2-yloxyanilino)-2H-pyrrole-3-carboxylate?
The IUPAC name of methyl 1-(2-hydroxyethyl)-5-oxo-4-(3-pyridin-2-yloxyanilino)-2H-pyrrole-3-carboxylate (CID 168565140) is methyl 1-(2-hydroxyethyl)-5-oxo-4-(3-pyridin-2-yloxyanilino)-2H-pyrrole-3-carboxylate.
What is the SMILES notation for methyl 1-(2-hydroxyethyl)-5-oxo-4-(3-pyridin-2-yloxyanilino)-2H-pyrrole-3-carboxylate?
The canonical SMILES for methyl 1-(2-hydroxyethyl)-5-oxo-4-(3-pyridin-2-yloxyanilino)-2H-pyrrole-3-carboxylate is COC(=O)C1=C(Nc2cccc(Oc3ccccn3)c2)C(=O)N(CCO)C1.
What is the InChIKey of methyl 1-(2-hydroxyethyl)-5-oxo-4-(3-pyridin-2-yloxyanilino)-2H-pyrrole-3-carboxylate?
The InChIKey is HNDYHGJJRIMMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-26-19(25)15-12-22(9-10-23)18(24)17(15)21-13-5-4-6-14(11-13)27-16-7-2-3-8-20-16/h2-8,11,21,23H,9-10,12H2,1H3.
What are the key properties of methyl 1-(2-hydroxyethyl)-5-oxo-4-(3-pyridin-2-yloxyanilino)-2H-pyrrole-3-carboxylate?
methyl 1-(2-hydroxyethyl)-5-oxo-4-(3-pyridin-2-yloxyanilino)-2H-pyrrole-3-carboxylate has a molecular weight of 369.38 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-hydroxyethyl)-5-oxo-4-(3-pyridin-2-yloxyanilino)-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 168565140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).