3-(4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione

C19H18ClN3O3 — CID 110569436

IUPAC3-(4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
SMILESCN(CCO)C1=C(c2ccc(Cl)cc2)C(=O)N(Cc2cccnc2)C1=O
InChIInChI=1S/C19H18ClN3O3/c1-22(9-10-24)17-16(14-4-6-15(20)7-5-14)18(25)23(19(17)26)12-13-3-2-8-21-11-13/h2-8,11,24H,9-10,12H2,1H3
InChIKeyRIPRQOFCNDUPGA-UHFFFAOYSA-N
MW371.82 g/mol
LogP1.94
Rot. Bonds6

About 3-(4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione

3-(4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione (PubChem CID 110569436) has the molecular formula C19H18ClN3O3 and a molecular weight of 371.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
PubChem CID110569436
Molecular FormulaC19H18ClN3O3
Molecular Weight371.82 g/mol
Exact Mass371.10
IUPAC Name3-(4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione
SMILESCN(CCO)C1=C(c2ccc(Cl)cc2)C(=O)N(Cc2cccnc2)C1=O
InChIInChI=1S/C19H18ClN3O3/c1-22(9-10-24)17-16(14-4-6-15(20)7-5-14)18(25)23(19(17)26)12-13-3-2-8-21-11-13/h2-8,11,24H,9-10,12H2,1H3
InChIKeyRIPRQOFCNDUPGA-UHFFFAOYSA-N
XLogP1.94
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione (CID 110569436) is 3-(4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione is CN(CCO)C1=C(c2ccc(Cl)cc2)C(=O)N(Cc2cccnc2)C1=O.
What is the InChIKey of 3-(4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione?
The InChIKey is RIPRQOFCNDUPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3/c1-22(9-10-24)17-16(14-4-6-15(20)7-5-14)18(25)23(19(17)26)12-13-3-2-8-21-11-13/h2-8,11,24H,9-10,12H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione?
3-(4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione has a molecular weight of 371.82 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-[2-hydroxyethyl(methyl)amino]-1-(pyridin-3-ylmethyl)pyrrole-2,5-dione is sourced from PubChem (CID 110569436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).