[6-(2,6-difluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone

C17H18F2N4O — CID 109126136

IUPAC[6-(2,6-difluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(Nc3c(F)cccc3F)nn2)C1
InChIInChI=1S/C17H18F2N4O/c1-11-4-3-9-23(10-11)17(24)14-7-8-15(22-21-14)20-16-12(18)5-2-6-13(16)19/h2,5-8,11H,3-4,9-10H2,1H3,(H,20,22)
InChIKeySETWJTCYUBRJIW-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.37
Rot. Bonds3

About [6-(2,6-difluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone

[6-(2,6-difluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 109126136) has the molecular formula C17H18F2N4O and a molecular weight of 332.35 g/mol. Its IUPAC name is [6-(2,6-difluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2,6-difluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID109126136
Molecular FormulaC17H18F2N4O
Molecular Weight332.35 g/mol
Exact Mass332.14
IUPAC Name[6-(2,6-difluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(Nc3c(F)cccc3F)nn2)C1
InChIInChI=1S/C17H18F2N4O/c1-11-4-3-9-23(10-11)17(24)14-7-8-15(22-21-14)20-16-12(18)5-2-6-13(16)19/h2,5-8,11H,3-4,9-10H2,1H3,(H,20,22)
InChIKeySETWJTCYUBRJIW-UHFFFAOYSA-N
XLogP3.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(2-fluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126061
[6-(2,6-difluoroanilino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113489
[6-(2-bromoanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126106
[5-(2,6-difluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196418
[6-(ethylamino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 62172058
[6-(2,5-dichloroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126123
methyl 2-[[6-(3-methylpiperidine-1-carbonyl)pyridazin-3-yl]amino]benzoate
CID 109126092
[6-(4-ethylanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126053
[6-(4-chloro-2-methylanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126067
(3-methylpiperidin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone
CID 109111042
[6-(4-ethoxyanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126078
6-(2,6-difluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109787

Frequently Asked Questions

What is the IUPAC name of [6-(2,6-difluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-(2,6-difluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone (CID 109126136) is [6-(2,6-difluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(2,6-difluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(2,6-difluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2ccc(Nc3c(F)cccc3F)nn2)C1.
What is the InChIKey of [6-(2,6-difluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is SETWJTCYUBRJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O/c1-11-4-3-9-23(10-11)17(24)14-7-8-15(22-21-14)20-16-12(18)5-2-6-13(16)19/h2,5-8,11H,3-4,9-10H2,1H3,(H,20,22).
What are the key properties of [6-(2,6-difluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone?
[6-(2,6-difluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 332.35 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,6-difluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109126136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).