N-(2,4-dimethoxyphenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide

C19H17FN4O3 — CID 109129697

IUPACN-(2,4-dimethoxyphenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3cccc(F)c3)nn2)c(OC)c1
InChIInChI=1S/C19H17FN4O3/c1-26-14-6-7-15(17(11-14)27-2)22-19(25)16-8-9-18(24-23-16)21-13-5-3-4-12(20)10-13/h3-11H,1-2H3,(H,21,24)(H,22,25)
InChIKeyMZQPNSQDPDQZHV-UHFFFAOYSA-N
MW368.37 g/mol
LogP3.63
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide

N-(2,4-dimethoxyphenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide (PubChem CID 109129697) has the molecular formula C19H17FN4O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
PubChem CID109129697
Molecular FormulaC19H17FN4O3
Molecular Weight368.37 g/mol
Exact Mass368.13
IUPAC NameN-(2,4-dimethoxyphenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(Nc3cccc(F)c3)nn2)c(OC)c1
InChIInChI=1S/C19H17FN4O3/c1-26-14-6-7-15(17(11-14)27-2)22-19(25)16-8-9-18(24-23-16)21-13-5-3-4-12(20)10-13/h3-11H,1-2H3,(H,21,24)(H,22,25)
InChIKeyMZQPNSQDPDQZHV-UHFFFAOYSA-N
XLogP3.63
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109129247
6-(3,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129706
6-(2,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129699
N-(2,4-dimethoxyphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109293921
6-(4-chloroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109128741
6-(2,4-dimethoxyanilino)-N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 109129294
6-(2,4-dimethoxyanilino)-N-(2,3-dimethylphenyl)pyridazine-3-carboxamide
CID 109127873
6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide
CID 109130116
N-(2,4-difluorophenyl)-6-(3,4-dimethoxyanilino)pyridazine-3-carboxamide
CID 109129713
N-(2,4-dimethoxyphenyl)-5-(3-fluoroanilino)pyridine-3-carboxamide
CID 109245646
N-(2-chlorophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109128637
6-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide
CID 109129462

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide (CID 109129697) is N-(2,4-dimethoxyphenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide is COc1ccc(NC(=O)c2ccc(Nc3cccc(F)c3)nn2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide?
The InChIKey is MZQPNSQDPDQZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O3/c1-26-14-6-7-15(17(11-14)27-2)22-19(25)16-8-9-18(24-23-16)21-13-5-3-4-12(20)10-13/h3-11H,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide?
N-(2,4-dimethoxyphenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide has a molecular weight of 368.37 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109129697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).