N-(4-methoxyphenyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide

C24H20N4O5S — CID 112772081

IUPACN-(4-methoxyphenyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
SMILESCOc1ccc(N(Cc2cccs2)C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1
InChIInChI=1S/C24H20N4O5S/c1-16-14-22(29)23(25-27(16)20-7-3-4-8-21(20)28(31)32)24(30)26(15-19-6-5-13-34-19)17-9-11-18(33-2)12-10-17/h3-14H,15H2,1-2H3
InChIKeyBGHPLVYXVFPVIN-UHFFFAOYSA-N
MW476.51 g/mol
LogP4.37
Rot. Bonds7

About N-(4-methoxyphenyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide

N-(4-methoxyphenyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide (PubChem CID 112772081) has the molecular formula C24H20N4O5S and a molecular weight of 476.51 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
PubChem CID112772081
Molecular FormulaC24H20N4O5S
Molecular Weight476.51 g/mol
Exact Mass476.12
IUPAC NameN-(4-methoxyphenyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
SMILESCOc1ccc(N(Cc2cccs2)C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1
InChIInChI=1S/C24H20N4O5S/c1-16-14-22(29)23(25-27(16)20-7-3-4-8-21(20)28(31)32)24(30)26(15-19-6-5-13-34-19)17-9-11-18(33-2)12-10-17/h3-14H,15H2,1-2H3
InChIKeyBGHPLVYXVFPVIN-UHFFFAOYSA-N
XLogP4.37
TPSA107.57 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(4-methoxyphenyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(thiophen-2-ylmethyl)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

6-methyl-1-(2-nitrophenyl)-4-oxo-N-(2-thiophen-2-ylethyl)pyridazine-3-carboxamide
CID 27770339
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 56534566
N,6-dimethyl-N-(4-methylphenyl)-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 60622001
N-ethyl-N-[1-(3-methoxyphenyl)ethyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 55592010
N-[(4-ethylphenyl)methyl]-N,6-dimethyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 46628189
6-methyl-1-(2-nitrophenyl)-4-oxo-N-propylpyridazine-3-carboxamide
CID 27256280
1-(2-chlorophenyl)-N,6-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 8933859
N-cyclohexyl-N-ethyl-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 30399981
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 8533427
N-butyl-N-(2-hydroxyethyl)-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 78855799
N-(4-ethoxyphenyl)-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 7678289
N-[4-(2-methoxyphenoxy)phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 27054324

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide (CID 112772081) is N-(4-methoxyphenyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide is COc1ccc(N(Cc2cccs2)C(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is BGHPLVYXVFPVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O5S/c1-16-14-22(29)23(25-27(16)20-7-3-4-8-21(20)28(31)32)24(30)26(15-19-6-5-13-34-19)17-9-11-18(33-2)12-10-17/h3-14H,15H2,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide?
N-(4-methoxyphenyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 476.51 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6-methyl-1-(2-nitrophenyl)-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 112772081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).