N-[7-(dibromomethyl)-5-methyl-1,8-naphthyridin-2-yl]benzamide;pyrrolidine-2,5-dione

C21H18Br2N4O3 — CID 139062414

IUPACN-[7-(dibromomethyl)-5-methyl-1,8-naphthyridin-2-yl]benzamide;pyrrolidine-2,5-dione
SMILESCc1cc(C(Br)Br)nc2nc(NC(=O)c3ccccc3)ccc12.O=C1CCC(=O)N1
InChIInChI=1S/C17H13Br2N3O.C4H5NO2/c1-10-9-13(15(18)19)20-16-12(10)7-8-14(21-16)22-17(23)11-5-3-2-4-6-11;6-3-1-2-4(7)5-3/h2-9,15H,1H3,(H,20,21,22,23);1-2H2,(H,5,6,7)
InChIKeyHWIOBMUSZDRQQF-UHFFFAOYSA-N
MW534.21 g/mol
LogP4.40
Rot. Bonds3

About N-[7-(dibromomethyl)-5-methyl-1,8-naphthyridin-2-yl]benzamide;pyrrolidine-2,5-dione

N-[7-(dibromomethyl)-5-methyl-1,8-naphthyridin-2-yl]benzamide;pyrrolidine-2,5-dione (PubChem CID 139062414) has the molecular formula C21H18Br2N4O3 and a molecular weight of 534.21 g/mol. Its IUPAC name is N-[7-(dibromomethyl)-5-methyl-1,8-naphthyridin-2-yl]benzamide;pyrrolidine-2,5-dione.

Molecular Properties

Compound NameN-[7-(dibromomethyl)-5-methyl-1,8-naphthyridin-2-yl]benzamide;pyrrolidine-2,5-dione
PubChem CID139062414
Molecular FormulaC21H18Br2N4O3
Molecular Weight534.21 g/mol
Exact Mass531.97
IUPAC NameN-[7-(dibromomethyl)-5-methyl-1,8-naphthyridin-2-yl]benzamide;pyrrolidine-2,5-dione
SMILESCc1cc(C(Br)Br)nc2nc(NC(=O)c3ccccc3)ccc12.O=C1CCC(=O)N1
InChIInChI=1S/C17H13Br2N3O.C4H5NO2/c1-10-9-13(15(18)19)20-16-12(10)7-8-14(21-16)22-17(23)11-5-3-2-4-6-11;6-3-1-2-4(7)5-3/h2-9,15H,1H3,(H,20,21,22,23);1-2H2,(H,5,6,7)
InChIKeyHWIOBMUSZDRQQF-UHFFFAOYSA-N
XLogP4.40
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.21
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[7-(dibromomethyl)-5-methyl-1,8-naphthyridin-2-yl]benzamide;pyrrolidine-2,5-dione 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 N-[7-(dibromomethyl)-5-methyl-1,8-naphthyridin-2-yl]benzamide;pyrrolidine-2,5-dione?
The IUPAC name of N-[7-(dibromomethyl)-5-methyl-1,8-naphthyridin-2-yl]benzamide;pyrrolidine-2,5-dione (CID 139062414) is N-[7-(dibromomethyl)-5-methyl-1,8-naphthyridin-2-yl]benzamide;pyrrolidine-2,5-dione.
What is the SMILES notation for N-[7-(dibromomethyl)-5-methyl-1,8-naphthyridin-2-yl]benzamide;pyrrolidine-2,5-dione?
The canonical SMILES for N-[7-(dibromomethyl)-5-methyl-1,8-naphthyridin-2-yl]benzamide;pyrrolidine-2,5-dione is Cc1cc(C(Br)Br)nc2nc(NC(=O)c3ccccc3)ccc12.O=C1CCC(=O)N1.
What is the InChIKey of N-[7-(dibromomethyl)-5-methyl-1,8-naphthyridin-2-yl]benzamide;pyrrolidine-2,5-dione?
The InChIKey is HWIOBMUSZDRQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Br2N3O.C4H5NO2/c1-10-9-13(15(18)19)20-16-12(10)7-8-14(21-16)22-17(23)11-5-3-2-4-6-11;6-3-1-2-4(7)5-3/h2-9,15H,1H3,(H,20,21,22,23);1-2H2,(H,5,6,7).
What are the key properties of N-[7-(dibromomethyl)-5-methyl-1,8-naphthyridin-2-yl]benzamide;pyrrolidine-2,5-dione?
N-[7-(dibromomethyl)-5-methyl-1,8-naphthyridin-2-yl]benzamide;pyrrolidine-2,5-dione has a molecular weight of 534.21 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(dibromomethyl)-5-methyl-1,8-naphthyridin-2-yl]benzamide;pyrrolidine-2,5-dione is sourced from PubChem (CID 139062414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).