N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide

C25H24N4O4 — CID 55763709

IUPACN-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(Oc2ncccc2NC(=O)c2nn(CC(C)C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C25H24N4O4/c1-16(2)15-29-25(31)20-8-5-4-7-19(20)22(28-29)23(30)27-21-9-6-14-26-24(21)33-18-12-10-17(32-3)11-13-18/h4-14,16H,15H2,1-3H3,(H,27,30)
InChIKeyQGZFEFIPVIVXFX-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.50
Rot. Bonds7

About N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide

N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide (PubChem CID 55763709) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
PubChem CID55763709
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC NameN-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(Oc2ncccc2NC(=O)c2nn(CC(C)C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C25H24N4O4/c1-16(2)15-29-25(31)20-8-5-4-7-19(20)22(28-29)23(30)27-21-9-6-14-26-24(21)33-18-12-10-17(32-3)11-13-18/h4-14,16H,15H2,1-3H3,(H,27,30)
InChIKeyQGZFEFIPVIVXFX-UHFFFAOYSA-N
XLogP4.50
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-amino-5-methoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 119421583
3-(2-methylpropyl)-4-oxo-N-pyridin-2-ylphthalazine-1-carboxamide
CID 51194000
N-(2-acetylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 51148476
N-(4-ethoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 4815668
N-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 51159012
3-(2-methylpropyl)-4-oxo-N-[(4-propoxyphenyl)methyl]phthalazine-1-carboxamide
CID 52654082
3-ethyl-N-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 2540338
N-[2-(4-methoxyphenoxy)-3-pyridinyl]acetamide
CID 154411578
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 55765631
N-(4-chloro-2-methylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 4815704
N-(3,5-dimethylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 3944118
3-(2-methylpropyl)-4-oxo-N-(4-phenylphenyl)phthalazine-1-carboxamide
CID 7925968

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide (CID 55763709) is N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide is COc1ccc(Oc2ncccc2NC(=O)c2nn(CC(C)C)c(=O)c3ccccc23)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is QGZFEFIPVIVXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-16(2)15-29-25(31)20-8-5-4-7-19(20)22(28-29)23(30)27-21-9-6-14-26-24(21)33-18-12-10-17(32-3)11-13-18/h4-14,16H,15H2,1-3H3,(H,27,30).
What are the key properties of N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 444.49 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)-3-pyridinyl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 55763709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).