N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide

C19H15F2N5O2 — CID 109129918

IUPACN-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(Nc3ccc(F)c(F)c3)nn2)cc1
InChIInChI=1S/C19H15F2N5O2/c1-11(27)22-12-2-4-13(5-3-12)24-19(28)17-8-9-18(26-25-17)23-14-6-7-15(20)16(21)10-14/h2-10H,1H3,(H,22,27)(H,23,26)(H,24,28)
InChIKeyUVTNYVPFGCIFEE-UHFFFAOYSA-N
MW383.36 g/mol
LogP3.71
Rot. Bonds5

About N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide

N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide (PubChem CID 109129918) has the molecular formula C19H15F2N5O2 and a molecular weight of 383.36 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide
PubChem CID109129918
Molecular FormulaC19H15F2N5O2
Molecular Weight383.36 g/mol
Exact Mass383.12
IUPAC NameN-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccc(Nc3ccc(F)c(F)c3)nn2)cc1
InChIInChI=1S/C19H15F2N5O2/c1-11(27)22-12-2-4-13(5-3-12)24-19(28)17-8-9-18(26-25-17)23-14-6-7-15(20)16(21)10-14/h2-10H,1H3,(H,22,27)(H,23,26)(H,24,28)
InChIKeyUVTNYVPFGCIFEE-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

6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128571
6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide
CID 109128783
6-(3,4-difluoroanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109129782
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
6-(4-acetamidoanilino)-N-(2,6-difluorophenyl)pyridazine-3-carboxamide
CID 109129904
methyl 3-[[6-[(3,4-difluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109129957
6-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide
CID 109130191
6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126674
N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide
CID 109129787
N-(3,4-difluorophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109130401
N-(3,4-difluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide
CID 109130413
6-(3-acetamidoanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129848

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide (CID 109129918) is N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2ccc(Nc3ccc(F)c(F)c3)nn2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide?
The InChIKey is UVTNYVPFGCIFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O2/c1-11(27)22-12-2-4-13(5-3-12)24-19(28)17-8-9-18(26-25-17)23-14-6-7-15(20)16(21)10-14/h2-10H,1H3,(H,22,27)(H,23,26)(H,24,28).
What are the key properties of N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide?
N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)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 N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109129918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).