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

C19H15F2N5O2 — CID 109129904

IUPAC6-(4-acetamidoanilino)-N-(2,6-difluorophenyl)pyridazine-3-carboxamide
SMILESCC(=O)Nc1ccc(Nc2ccc(C(=O)Nc3c(F)cccc3F)nn2)cc1
InChIInChI=1S/C19H15F2N5O2/c1-11(27)22-12-5-7-13(8-6-12)23-17-10-9-16(25-26-17)19(28)24-18-14(20)3-2-4-15(18)21/h2-10H,1H3,(H,22,27)(H,23,26)(H,24,28)
InChIKeyMWFINRZGWAULGS-UHFFFAOYSA-N
MW383.36 g/mol
LogP3.71
Rot. Bonds5

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

6-(4-acetamidoanilino)-N-(2,6-difluorophenyl)pyridazine-3-carboxamide (PubChem CID 109129904) has the molecular formula C19H15F2N5O2 and a molecular weight of 383.36 g/mol. Its IUPAC name is 6-(4-acetamidoanilino)-N-(2,6-difluorophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetamidoanilino)-N-(2,6-difluorophenyl)pyridazine-3-carboxamide
PubChem CID109129904
Molecular FormulaC19H15F2N5O2
Molecular Weight383.36 g/mol
Exact Mass383.12
IUPAC Name6-(4-acetamidoanilino)-N-(2,6-difluorophenyl)pyridazine-3-carboxamide
SMILESCC(=O)Nc1ccc(Nc2ccc(C(=O)Nc3c(F)cccc3F)nn2)cc1
InChIInChI=1S/C19H15F2N5O2/c1-11(27)22-12-5-7-13(8-6-12)23-17-10-9-16(25-26-17)19(28)24-18-14(20)3-2-4-15(18)21/h2-10H,1H3,(H,22,27)(H,23,26)(H,24,28)
InChIKeyMWFINRZGWAULGS-UHFFFAOYSA-N
XLogP3.71
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-difluorophenyl)-6-(3,5-dimethylanilino)pyridazine-3-carboxamide
CID 109127733
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide
CID 109128783
N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide
CID 109129918
6-(2,6-difluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126736
6-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyridazine-3-carboxamide
CID 109128147
6-(2,6-difluoroanilino)-N-(4-ethylphenyl)pyridazine-3-carboxamide
CID 109128021
N-(2,6-difluorophenyl)-6-hydrazinylpyridazine-3-carboxamide
CID 62242004
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-chloro-6-fluorobenzamide
CID 113049303
N-(4-acetamidophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109129349
6-(4-acetamidoanilino)pyridazine-3-carboxylic acid
CID 60791814
N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide
CID 109129787

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetamidoanilino)-N-(2,6-difluorophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-acetamidoanilino)-N-(2,6-difluorophenyl)pyridazine-3-carboxamide (CID 109129904) is 6-(4-acetamidoanilino)-N-(2,6-difluorophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-acetamidoanilino)-N-(2,6-difluorophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-acetamidoanilino)-N-(2,6-difluorophenyl)pyridazine-3-carboxamide is CC(=O)Nc1ccc(Nc2ccc(C(=O)Nc3c(F)cccc3F)nn2)cc1.
What is the InChIKey of 6-(4-acetamidoanilino)-N-(2,6-difluorophenyl)pyridazine-3-carboxamide?
The InChIKey is MWFINRZGWAULGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O2/c1-11(27)22-12-5-7-13(8-6-12)23-17-10-9-16(25-26-17)19(28)24-18-14(20)3-2-4-15(18)21/h2-10H,1H3,(H,22,27)(H,23,26)(H,24,28).
What are the key properties of 6-(4-acetamidoanilino)-N-(2,6-difluorophenyl)pyridazine-3-carboxamide?
6-(4-acetamidoanilino)-N-(2,6-difluorophenyl)pyridazine-3-carboxamide has a molecular weight of 383.36 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetamidoanilino)-N-(2,6-difluorophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109129904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).