N-[cyclopropyl-(4-methylphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

C24H25N3O3 — CID 24582551

IUPACN-[cyclopropyl-(4-methylphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCc1ccc(C(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)C2CC2)cc1
InChIInChI=1S/C24H25N3O3/c1-17-7-9-18(10-8-17)23(19-11-12-19)25-24(29)21-13-14-22(28)27(26-21)15-16-30-20-5-3-2-4-6-20/h2-10,13-14,19,23H,11-12,15-16H2,1H3,(H,25,29)
InChIKeyIDXYVHNPACHFEB-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.51
Rot. Bonds8

About N-[cyclopropyl-(4-methylphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

N-[cyclopropyl-(4-methylphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (PubChem CID 24582551) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
PubChem CID24582551
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[cyclopropyl-(4-methylphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESCc1ccc(C(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)C2CC2)cc1
InChIInChI=1S/C24H25N3O3/c1-17-7-9-18(10-8-17)23(19-11-12-19)25-24(29)21-13-14-22(28)27(26-21)15-16-30-20-5-3-2-4-6-20/h2-10,13-14,19,23H,11-12,15-16H2,1H3,(H,25,29)
InChIKeyIDXYVHNPACHFEB-UHFFFAOYSA-N
XLogP3.51
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[cyclopropyl-(4-methylphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-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-[(1R)-1-cyclopropylethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30796441
N-[1-(4-fluorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 43033670
N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30780750
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 37430350
N-(2-methoxyethyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 35811130
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
methyl 3-(4-chlorophenyl)-3-[[6-oxo-1-(2-phenoxyethyl)pyridazine-3-carbonyl]amino]propanoate
CID 55437033
N-[cyclopropyl-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 51296315
N-[2,4-di(propan-2-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46436516
N-[1-(3-chlorophenyl)ethyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 24505534
1-(2-methoxyethyl)-6-oxo-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32934057
6-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
CID 51112139

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (CID 24582551) is N-[cyclopropyl-(4-methylphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(4-methylphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-[cyclopropyl-(4-methylphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is Cc1ccc(C(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methylphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The InChIKey is IDXYVHNPACHFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-17-7-9-18(10-8-17)23(19-11-12-19)25-24(29)21-13-14-22(28)27(26-21)15-16-30-20-5-3-2-4-6-20/h2-10,13-14,19,23H,11-12,15-16H2,1H3,(H,25,29).
What are the key properties of N-[cyclopropyl-(4-methylphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
N-[cyclopropyl-(4-methylphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylphenyl)methyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 24582551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).