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

C19H16F2N4O3 — CID 109129713

IUPACN-(2,4-difluorophenyl)-6-(3,4-dimethoxyanilino)pyridazine-3-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)Nc3ccc(F)cc3F)nn2)cc1OC
InChIInChI=1S/C19H16F2N4O3/c1-27-16-7-4-12(10-17(16)28-2)22-18-8-6-15(24-25-18)19(26)23-14-5-3-11(20)9-13(14)21/h3-10H,1-2H3,(H,22,25)(H,23,26)
InChIKeySVVKOFVRTCLUMJ-UHFFFAOYSA-N
MW386.36 g/mol
LogP3.77
Rot. Bonds6

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

N-(2,4-difluorophenyl)-6-(3,4-dimethoxyanilino)pyridazine-3-carboxamide (PubChem CID 109129713) has the molecular formula C19H16F2N4O3 and a molecular weight of 386.36 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-6-(3,4-dimethoxyanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-6-(3,4-dimethoxyanilino)pyridazine-3-carboxamide
PubChem CID109129713
Molecular FormulaC19H16F2N4O3
Molecular Weight386.36 g/mol
Exact Mass386.12
IUPAC NameN-(2,4-difluorophenyl)-6-(3,4-dimethoxyanilino)pyridazine-3-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)Nc3ccc(F)cc3F)nn2)cc1OC
InChIInChI=1S/C19H16F2N4O3/c1-27-16-7-4-12(10-17(16)28-2)22-18-8-6-15(24-25-18)19(26)23-14-5-3-11(20)9-13(14)21/h3-10H,1-2H3,(H,22,25)(H,23,26)
InChIKeySVVKOFVRTCLUMJ-UHFFFAOYSA-N
XLogP3.77
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
CID 109129078
6-(2,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129699
N-(2,4-difluorophenyl)-2-(3,4-dimethoxyanilino)pyridine-4-carboxamide
CID 109178399
6-(3,4-dimethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129388
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128560
6-(3,4-difluoroanilino)-N-(2,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129706
N-(2,4-dimethoxyphenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109129697
6-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129733
N-(2,4-difluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109129753
N-(2,4-difluorophenyl)-5-(3,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109245690
N-(2,4-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62247776
6-(tert-butylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide
CID 109124809

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-6-(3,4-dimethoxyanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-6-(3,4-dimethoxyanilino)pyridazine-3-carboxamide (CID 109129713) is N-(2,4-difluorophenyl)-6-(3,4-dimethoxyanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-6-(3,4-dimethoxyanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-6-(3,4-dimethoxyanilino)pyridazine-3-carboxamide is COc1ccc(Nc2ccc(C(=O)Nc3ccc(F)cc3F)nn2)cc1OC.
What is the InChIKey of N-(2,4-difluorophenyl)-6-(3,4-dimethoxyanilino)pyridazine-3-carboxamide?
The InChIKey is SVVKOFVRTCLUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O3/c1-27-16-7-4-12(10-17(16)28-2)22-18-8-6-15(24-25-18)19(26)23-14-5-3-11(20)9-13(14)21/h3-10H,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-(2,4-difluorophenyl)-6-(3,4-dimethoxyanilino)pyridazine-3-carboxamide?
N-(2,4-difluorophenyl)-6-(3,4-dimethoxyanilino)pyridazine-3-carboxamide has a molecular weight of 386.36 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-6-(3,4-dimethoxyanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109129713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).