2-(3-chloro-6-oxopyridazin-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide

C19H22ClFN4O2 — CID 24817050

IUPAC2-(3-chloro-6-oxopyridazin-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide
SMILESCN(C(=O)Cn1nc(Cl)ccc1=O)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C19H22ClFN4O2/c1-23(19(27)13-25-18(26)9-8-17(20)22-25)15-6-4-10-24(12-15)11-14-5-2-3-7-16(14)21/h2-3,5,7-9,15H,4,6,10-13H2,1H3
InChIKeyRSQJQCGRZLKTMM-UHFFFAOYSA-N
MW392.86 g/mol
LogP2.16
Rot. Bonds5

About 2-(3-chloro-6-oxopyridazin-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide

2-(3-chloro-6-oxopyridazin-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide (PubChem CID 24817050) has the molecular formula C19H22ClFN4O2 and a molecular weight of 392.86 g/mol. Its IUPAC name is 2-(3-chloro-6-oxopyridazin-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3-chloro-6-oxopyridazin-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide
PubChem CID24817050
Molecular FormulaC19H22ClFN4O2
Molecular Weight392.86 g/mol
Exact Mass392.14
IUPAC Name2-(3-chloro-6-oxopyridazin-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide
SMILESCN(C(=O)Cn1nc(Cl)ccc1=O)C1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C19H22ClFN4O2/c1-23(19(27)13-25-18(26)9-8-17(20)22-25)15-6-4-10-24(12-15)11-14-5-2-3-7-16(14)21/h2-3,5,7-9,15H,4,6,10-13H2,1H3
InChIKeyRSQJQCGRZLKTMM-UHFFFAOYSA-N
XLogP2.16
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-6-oxopyridazin-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide?
The IUPAC name of 2-(3-chloro-6-oxopyridazin-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide (CID 24817050) is 2-(3-chloro-6-oxopyridazin-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-(3-chloro-6-oxopyridazin-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide?
The canonical SMILES for 2-(3-chloro-6-oxopyridazin-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide is CN(C(=O)Cn1nc(Cl)ccc1=O)C1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of 2-(3-chloro-6-oxopyridazin-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide?
The InChIKey is RSQJQCGRZLKTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN4O2/c1-23(19(27)13-25-18(26)9-8-17(20)22-25)15-6-4-10-24(12-15)11-14-5-2-3-7-16(14)21/h2-3,5,7-9,15H,4,6,10-13H2,1H3.
What are the key properties of 2-(3-chloro-6-oxopyridazin-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide?
2-(3-chloro-6-oxopyridazin-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide has a molecular weight of 392.86 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-6-oxopyridazin-1-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 24817050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).