[6-(2,4-difluoroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone

C15H14F2N4O — CID 109112053

IUPAC[6-(2,4-difluoroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(Nc2ccc(F)cc2F)nn1)N1CCCC1
InChIInChI=1S/C15H14F2N4O/c16-10-3-4-12(11(17)9-10)18-14-6-5-13(19-20-14)15(22)21-7-1-2-8-21/h3-6,9H,1-2,7-8H2,(H,18,20)
InChIKeyUJWRHYPBIAHEIS-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.73
Rot. Bonds3

About [6-(2,4-difluoroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone

[6-(2,4-difluoroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 109112053) has the molecular formula C15H14F2N4O and a molecular weight of 304.30 g/mol. Its IUPAC name is [6-(2,4-difluoroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(2,4-difluoroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID109112053
Molecular FormulaC15H14F2N4O
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name[6-(2,4-difluoroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(Nc2ccc(F)cc2F)nn1)N1CCCC1
InChIInChI=1S/C15H14F2N4O/c16-10-3-4-12(11(17)9-10)18-14-6-5-13(19-20-14)15(22)21-7-1-2-8-21/h3-6,9H,1-2,7-8H2,(H,18,20)
InChIKeyUJWRHYPBIAHEIS-UHFFFAOYSA-N
XLogP2.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112734
azepan-1-yl-[4-(2,4-difluoroanilino)-2-pyridinyl]methanone
CID 109218613
[6-(2-chloroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111996
N-cyclohexyl-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
CID 109113119
N-cycloheptyl-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
CID 109125066
6-(2,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128560
N-(2-chlorophenyl)-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
CID 109128642
[6-(methylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 62172845
[6-(2-fluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126061
6-(4-fluoro-2-iodoanilino)pyridazine-3-carboxylic acid
CID 79767067
(6-hydrazinylpyridazin-3-yl)-piperidin-1-ylmethanone
CID 62243082
[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109112076

Frequently Asked Questions

What is the IUPAC name of [6-(2,4-difluoroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(2,4-difluoroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone (CID 109112053) is [6-(2,4-difluoroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(2,4-difluoroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(2,4-difluoroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(Nc2ccc(F)cc2F)nn1)N1CCCC1.
What is the InChIKey of [6-(2,4-difluoroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is UJWRHYPBIAHEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O/c16-10-3-4-12(11(17)9-10)18-14-6-5-13(19-20-14)15(22)21-7-1-2-8-21/h3-6,9H,1-2,7-8H2,(H,18,20).
What are the key properties of [6-(2,4-difluoroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone?
[6-(2,4-difluoroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 304.30 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,4-difluoroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109112053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).