N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]furan-2-carboxamide

C22H19N3O3 — CID 661961

IUPACN-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]furan-2-carboxamide
SMILESCc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)c1ccco1
InChIInChI=1S/C22H19N3O3/c1-14-9-10-15(12-16(14)13-23-21(26)19-8-5-11-28-19)20-17-6-3-4-7-18(17)22(27)25(2)24-20/h3-12H,13H2,1-2H3,(H,23,26)
InChIKeyFDJSYFKNKYRDSI-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.43
Rot. Bonds4

About N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]furan-2-carboxamide

N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]furan-2-carboxamide (PubChem CID 661961) has the molecular formula C22H19N3O3 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]furan-2-carboxamide
PubChem CID661961
Molecular FormulaC22H19N3O3
Molecular Weight373.41 g/mol
Exact Mass373.14
IUPAC NameN-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]furan-2-carboxamide
SMILESCc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)c1ccco1
InChIInChI=1S/C22H19N3O3/c1-14-9-10-15(12-16(14)13-23-21(26)19-8-5-11-28-19)20-17-6-3-4-7-18(17)22(27)25(2)24-20/h3-12H,13H2,1-2H3,(H,23,26)
InChIKeyFDJSYFKNKYRDSI-UHFFFAOYSA-N
XLogP3.43
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]furan-2-carboxamide 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-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]furan-2-carboxamide (CID 661961) is N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]furan-2-carboxamide is Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)c1ccco1.
What is the InChIKey of N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]furan-2-carboxamide?
The InChIKey is FDJSYFKNKYRDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3/c1-14-9-10-15(12-16(14)13-23-21(26)19-8-5-11-28-19)20-17-6-3-4-7-18(17)22(27)25(2)24-20/h3-12H,13H2,1-2H3,(H,23,26).
What are the key properties of N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]furan-2-carboxamide?
N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]furan-2-carboxamide has a molecular weight of 373.41 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-5-(3-methyl-4-oxophthalazin-1-yl)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 661961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).