6-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide

C24H19N5O5 — CID 55787723

IUPAC6-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)cn2)cc1
InChIInChI=1S/C24H19N5O5/c1-15-7-10-18(11-8-15)34-22-12-9-17(14-25-22)26-24(31)23-21(30)13-16(2)28(27-23)19-5-3-4-6-20(19)29(32)33/h3-14H,1-2H3,(H,26,31)
InChIKeyDBBATQJLKBHSDI-UHFFFAOYSA-N
MW457.45 g/mol
LogP4.20
Rot. Bonds6

About 6-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide

6-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide (PubChem CID 55787723) has the molecular formula C24H19N5O5 and a molecular weight of 457.45 g/mol. Its IUPAC name is 6-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
PubChem CID55787723
Molecular FormulaC24H19N5O5
Molecular Weight457.45 g/mol
Exact Mass457.14
IUPAC Name6-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)cn2)cc1
InChIInChI=1S/C24H19N5O5/c1-15-7-10-18(11-8-15)34-22-12-9-17(14-25-22)26-24(31)23-21(30)13-16(2)28(27-23)19-5-3-4-6-20(19)29(32)33/h3-14H,1-2H3,(H,26,31)
InChIKeyDBBATQJLKBHSDI-UHFFFAOYSA-N
XLogP4.20
TPSA129.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-[4-(2-methoxyphenoxy)phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 27054324
N-(4-ethoxyphenyl)-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 7678289
N-[4-(3-fluorophenoxy)phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 52706286
N-[4-(dimethylcarbamoyl)phenyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 34546766
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-(6-methoxy-3-pyridinyl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 40708409
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 55700846
6-methyl-1-(2-nitrophenyl)-4-oxo-N-[4-(pyrazol-1-ylmethyl)phenyl]pyridazine-3-carboxamide
CID 55812359
6-methyl-1-(2-nitrophenyl)-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridazine-3-carboxamide
CID 25493933
N-(2,3-difluorophenyl)-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide
CID 60596494

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide?
The IUPAC name of 6-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide (CID 55787723) is 6-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide is Cc1ccc(Oc2ccc(NC(=O)c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)cn2)cc1.
What is the InChIKey of 6-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide?
The InChIKey is DBBATQJLKBHSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O5/c1-15-7-10-18(11-8-15)34-22-12-9-17(14-25-22)26-24(31)23-21(30)13-16(2)28(27-23)19-5-3-4-6-20(19)29(32)33/h3-14H,1-2H3,(H,26,31).
What are the key properties of 6-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide?
6-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide has a molecular weight of 457.45 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 55787723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).