6-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide

C24H23N5O5 — CID 55776609

IUPAC6-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)c1C(=O)N1CCCC1
InChIInChI=1S/C24H23N5O5/c1-15-8-7-9-17(21(15)24(32)27-12-5-6-13-27)25-23(31)22-20(30)14-16(2)28(26-22)18-10-3-4-11-19(18)29(33)34/h3-4,7-11,14H,5-6,12-13H2,1-2H3,(H,25,31)
InChIKeyIRCZEYXYVAKQRZ-UHFFFAOYSA-N
MW461.48 g/mol
LogP3.25
Rot. Bonds5

About 6-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide

6-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide (PubChem CID 55776609) has the molecular formula C24H23N5O5 and a molecular weight of 461.48 g/mol. Its IUPAC name is 6-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
PubChem CID55776609
Molecular FormulaC24H23N5O5
Molecular Weight461.48 g/mol
Exact Mass461.17
IUPAC Name6-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
SMILESCc1cccc(NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)c1C(=O)N1CCCC1
InChIInChI=1S/C24H23N5O5/c1-15-8-7-9-17(21(15)24(32)27-12-5-6-13-27)25-23(31)22-20(30)14-16(2)28(26-22)18-10-3-4-11-19(18)29(33)34/h3-4,7-11,14H,5-6,12-13H2,1-2H3,(H,25,31)
InChIKeyIRCZEYXYVAKQRZ-UHFFFAOYSA-N
XLogP3.25
TPSA127.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-difluorophenyl)-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 60596494
methyl 4-[6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carbonyl]-1,4-diazepane-1-carboxylate
CID 51132446
6-methyl-N-[3-(2-methylpropanoylamino)phenyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 55609823
6-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 51613671
6-methyl-1-(2-nitrophenyl)-4-oxo-N-propylpyridazine-3-carboxamide
CID 27256280
N-[4-(dimethylcarbamoyl)phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 34546766
4-methoxy-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-3-nitrobenzamide
CID 55776443
6-methyl-1-(2-nitrophenyl)-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridazine-3-carboxamide
CID 25493933
6-methyl-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 51952202
6-methyl-N-[2-(methylamino)propyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide;hydrochloride
CID 120831378
N-(4-ethoxyphenyl)-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 7678289
1-(2-chlorophenyl)-6-methyl-N-(2-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 7602453

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide?
The IUPAC name of 6-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide (CID 55776609) is 6-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide is Cc1cccc(NC(=O)c2nn(-c3ccccc3[N+](=O)[O-])c(C)cc2=O)c1C(=O)N1CCCC1.
What is the InChIKey of 6-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide?
The InChIKey is IRCZEYXYVAKQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O5/c1-15-8-7-9-17(21(15)24(32)27-12-5-6-13-27)25-23(31)22-20(30)14-16(2)28(26-22)18-10-3-4-11-19(18)29(33)34/h3-4,7-11,14H,5-6,12-13H2,1-2H3,(H,25,31).
What are the key properties of 6-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide?
6-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide has a molecular weight of 461.48 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 55776609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).