N-(3,4-difluorophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide

C19H16F2N4O — CID 109127862

IUPACN-(3,4-difluorophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide
SMILESCc1cccc(Nc2ccc(C(=O)Nc3ccc(F)c(F)c3)nn2)c1C
InChIInChI=1S/C19H16F2N4O/c1-11-4-3-5-16(12(11)2)23-18-9-8-17(24-25-18)19(26)22-13-6-7-14(20)15(21)10-13/h3-10H,1-2H3,(H,22,26)(H,23,25)
InChIKeyUZPZXLJDLHCOLM-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.37
Rot. Bonds4

About N-(3,4-difluorophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide

N-(3,4-difluorophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide (PubChem CID 109127862) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide
PubChem CID109127862
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC NameN-(3,4-difluorophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide
SMILESCc1cccc(Nc2ccc(C(=O)Nc3ccc(F)c(F)c3)nn2)c1C
InChIInChI=1S/C19H16F2N4O/c1-11-4-3-5-16(12(11)2)23-18-9-8-17(24-25-18)19(26)22-13-6-7-14(20)15(21)10-13/h3-10H,1-2H3,(H,22,26)(H,23,25)
InChIKeyUZPZXLJDLHCOLM-UHFFFAOYSA-N
XLogP4.37
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109130401
N-(3,4-difluorophenyl)-6-(2-ethoxyanilino)pyridazine-3-carboxamide
CID 109129455
N-(3,4-difluorophenyl)-2-(2,3-dimethylanilino)pyrimidine-4-carboxamide
CID 109315452
N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide
CID 109129918
N-(3,4-difluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide
CID 109130413
methyl 3-[[6-[(3,4-difluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109129957
6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128571
N-(3-bromophenyl)-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109126791
1-N-(3,4-difluorophenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057283
N-(2-cyanophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide
CID 109127858
N-(3-acetylphenyl)-6-(4-chloro-2-methylanilino)pyridazine-3-carboxamide
CID 109128908
6-(4-chloroanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide
CID 109128752

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide (CID 109127862) is N-(3,4-difluorophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide is Cc1cccc(Nc2ccc(C(=O)Nc3ccc(F)c(F)c3)nn2)c1C.
What is the InChIKey of N-(3,4-difluorophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide?
The InChIKey is UZPZXLJDLHCOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-11-4-3-5-16(12(11)2)23-18-9-8-17(24-25-18)19(26)22-13-6-7-14(20)15(21)10-13/h3-10H,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-(3,4-difluorophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide?
N-(3,4-difluorophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109127862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).