1-(3-chlorophenyl)-N-(4-methyl-3-nitrophenyl)-4-oxopyridazine-3-carboxamide

C18H13ClN4O4 — CID 7692939

IUPAC1-(3-chlorophenyl)-N-(4-methyl-3-nitrophenyl)-4-oxopyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2nn(-c3cccc(Cl)c3)ccc2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C18H13ClN4O4/c1-11-5-6-13(10-15(11)23(26)27)20-18(25)17-16(24)7-8-22(21-17)14-4-2-3-12(19)9-14/h2-10H,1H3,(H,20,25)
InChIKeyBAQBQNLYUYOTSK-UHFFFAOYSA-N
MW384.78 g/mol
LogP3.35
Rot. Bonds4

About 1-(3-chlorophenyl)-N-(4-methyl-3-nitrophenyl)-4-oxopyridazine-3-carboxamide

1-(3-chlorophenyl)-N-(4-methyl-3-nitrophenyl)-4-oxopyridazine-3-carboxamide (PubChem CID 7692939) has the molecular formula C18H13ClN4O4 and a molecular weight of 384.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(4-methyl-3-nitrophenyl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(4-methyl-3-nitrophenyl)-4-oxopyridazine-3-carboxamide
PubChem CID7692939
Molecular FormulaC18H13ClN4O4
Molecular Weight384.78 g/mol
Exact Mass384.06
IUPAC Name1-(3-chlorophenyl)-N-(4-methyl-3-nitrophenyl)-4-oxopyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2nn(-c3cccc(Cl)c3)ccc2=O)cc1[N+](=O)[O-]
InChIInChI=1S/C18H13ClN4O4/c1-11-5-6-13(10-15(11)23(26)27)20-18(25)17-16(24)7-8-22(21-17)14-4-2-3-12(19)9-14/h2-10H,1H3,(H,20,25)
InChIKeyBAQBQNLYUYOTSK-UHFFFAOYSA-N
XLogP3.35
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.78
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(3-chlorobenzoyl)amino]phenyl]-4-methyl-3-nitrobenzamide
CID 3765376
N-(3-fluoro-4-methylphenyl)-1-(3-nitrophenyl)pyrazole-3-carboxamide
CID 38417021
1-(3-chlorophenyl)-N-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]-4-oxopyridazine-3-carboxamide
CID 40967435
N-(4-ethoxy-2-nitrophenyl)-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide
CID 7708075
methyl 1-(3-methyl-4-nitrophenyl)-4-oxopyridazine-3-carboxylate
CID 63982812
N-[2-(4-chlorophenyl)benzotriazol-5-yl]-4-methyl-3-nitrobenzamide
CID 1363588
5-methyl-N-(4-methyl-3-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 25299287
N-(4-chlorophenyl)-4-methyl-3-nitrobenzamide
CID 711327
N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzamide
CID 55363553
N-(4-methyl-3-nitrophenyl)-3-sulfanylbenzamide
CID 107021737
methyl 1-(4-fluoro-3-nitrophenyl)-4-oxopyridazine-3-carboxylate
CID 63981311
3-chloro-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide
CID 9174858

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(4-methyl-3-nitrophenyl)-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(4-methyl-3-nitrophenyl)-4-oxopyridazine-3-carboxamide (CID 7692939) is 1-(3-chlorophenyl)-N-(4-methyl-3-nitrophenyl)-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(4-methyl-3-nitrophenyl)-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(4-methyl-3-nitrophenyl)-4-oxopyridazine-3-carboxamide is Cc1ccc(NC(=O)c2nn(-c3cccc(Cl)c3)ccc2=O)cc1[N+](=O)[O-].
What is the InChIKey of 1-(3-chlorophenyl)-N-(4-methyl-3-nitrophenyl)-4-oxopyridazine-3-carboxamide?
The InChIKey is BAQBQNLYUYOTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O4/c1-11-5-6-13(10-15(11)23(26)27)20-18(25)17-16(24)7-8-22(21-17)14-4-2-3-12(19)9-14/h2-10H,1H3,(H,20,25).
What are the key properties of 1-(3-chlorophenyl)-N-(4-methyl-3-nitrophenyl)-4-oxopyridazine-3-carboxamide?
1-(3-chlorophenyl)-N-(4-methyl-3-nitrophenyl)-4-oxopyridazine-3-carboxamide has a molecular weight of 384.78 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(4-methyl-3-nitrophenyl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 7692939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).