N-(2,6-difluorophenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide

C19H16F2N4O — CID 109127733

IUPACN-(2,6-difluorophenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide
SMILESCc1cc(C)cc(Nc2ccc(C(=O)Nc3c(F)cccc3F)nn2)c1
InChIInChI=1S/C19H16F2N4O/c1-11-8-12(2)10-13(9-11)22-17-7-6-16(24-25-17)19(26)23-18-14(20)4-3-5-15(18)21/h3-10H,1-2H3,(H,22,25)(H,23,26)
InChIKeyCLQAVURTBUYIBL-UHFFFAOYSA-N
MW354.36 g/mol
LogP4.37
Rot. Bonds4

About N-(2,6-difluorophenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide

N-(2,6-difluorophenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide (PubChem CID 109127733) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide
PubChem CID109127733
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC NameN-(2,6-difluorophenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide
SMILESCc1cc(C)cc(Nc2ccc(C(=O)Nc3c(F)cccc3F)nn2)c1
InChIInChI=1S/C19H16F2N4O/c1-11-8-12(2)10-13(9-11)22-17-7-6-16(24-25-17)19(26)23-18-14(20)4-3-5-15(18)21/h3-10H,1-2H3,(H,22,25)(H,23,26)
InChIKeyCLQAVURTBUYIBL-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

6-(4-acetamidoanilino)-N-(2,6-difluorophenyl)pyridazine-3-carboxamide
CID 109129904
N-(2,6-difluorophenyl)-6-(2,5-dimethylanilino)pyridazine-3-carboxamide
CID 109127605
N-(2,6-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62242004
N-(2,6-difluorophenyl)-6-methylpyridazine-3-carboxamide
CID 110705395
6-(2,6-difluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126736
N-(4-acetylphenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide
CID 109127716
6-(3,5-dimethylanilino)-N-propylpyridazine-3-carboxamide
CID 109109300
6-(3-methylanilino)-N-phenylpyridazine-3-carboxamide
CID 109126645
6-(4-methylanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126943
6-(2,6-difluoroanilino)-N-(3,4-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109129733
6-(2,6-difluoroanilino)-N-(4-ethylphenyl)pyridazine-3-carboxamide
CID 109128021
6-(3-bromoanilino)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109126993

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide (CID 109127733) is N-(2,6-difluorophenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide is Cc1cc(C)cc(Nc2ccc(C(=O)Nc3c(F)cccc3F)nn2)c1.
What is the InChIKey of N-(2,6-difluorophenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide?
The InChIKey is CLQAVURTBUYIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c1-11-8-12(2)10-13(9-11)22-17-7-6-16(24-25-17)19(26)23-18-14(20)4-3-5-15(18)21/h3-10H,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-(2,6-difluorophenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide?
N-(2,6-difluorophenyl)-6-(3,5-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-(2,6-difluorophenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109127733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).