(2,5-dioxopyrrolidin-1-yl) 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate

C25H24N4O6 — CID 177026815

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate
SMILESCCOc1ncc(C)c2c1C(c1ccc(C#N)cc1OC)C(C(=O)ON1C(=O)CCC1=O)=C(C)N2
InChIInChI=1S/C25H24N4O6/c1-5-34-24-22-21(16-7-6-15(11-26)10-17(16)33-4)20(14(3)28-23(22)13(2)12-27-24)25(32)35-29-18(30)8-9-19(29)31/h6-7,10,12,21,28H,5,8-9H2,1-4H3
InChIKeyDSXMDFBQMLJJEB-UHFFFAOYSA-N
MW476.49 g/mol
LogP3.11
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate

(2,5-dioxopyrrolidin-1-yl) 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate (PubChem CID 177026815) has the molecular formula C25H24N4O6 and a molecular weight of 476.49 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate
PubChem CID177026815
Molecular FormulaC25H24N4O6
Molecular Weight476.49 g/mol
Exact Mass476.17
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate
SMILESCCOc1ncc(C)c2c1C(c1ccc(C#N)cc1OC)C(C(=O)ON1C(=O)CCC1=O)=C(C)N2
InChIInChI=1S/C25H24N4O6/c1-5-34-24-22-21(16-7-6-15(11-26)10-17(16)33-4)20(14(3)28-23(22)13(2)12-27-24)25(32)35-29-18(30)8-9-19(29)31/h6-7,10,12,21,28H,5,8-9H2,1-4H3
InChIKeyDSXMDFBQMLJJEB-UHFFFAOYSA-N
XLogP3.11
TPSA130.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate (CID 177026815) is (2,5-dioxopyrrolidin-1-yl) 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate is CCOc1ncc(C)c2c1C(c1ccc(C#N)cc1OC)C(C(=O)ON1C(=O)CCC1=O)=C(C)N2.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate?
The InChIKey is DSXMDFBQMLJJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O6/c1-5-34-24-22-21(16-7-6-15(11-26)10-17(16)33-4)20(14(3)28-23(22)13(2)12-27-24)25(32)35-29-18(30)8-9-19(29)31/h6-7,10,12,21,28H,5,8-9H2,1-4H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate has a molecular weight of 476.49 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 177026815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).