2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide

C18H21FN4O2 — CID 53012191

IUPAC2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide
SMILESCn1ncc(NC(=O)Cc2cccc(F)c2)c(N2CCCCC2)c1=O
InChIInChI=1S/C18H21FN4O2/c1-22-18(25)17(23-8-3-2-4-9-23)15(12-20-22)21-16(24)11-13-6-5-7-14(19)10-13/h5-7,10,12H,2-4,8-9,11H2,1H3,(H,21,24)
InChIKeyNLTSJLPGPGMKDR-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.09
Rot. Bonds4

About 2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide

2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide (PubChem CID 53012191) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide
PubChem CID53012191
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide
SMILESCn1ncc(NC(=O)Cc2cccc(F)c2)c(N2CCCCC2)c1=O
InChIInChI=1S/C18H21FN4O2/c1-22-18(25)17(23-8-3-2-4-9-23)15(12-20-22)21-16(24)11-13-6-5-7-14(19)10-13/h5-7,10,12H,2-4,8-9,11H2,1H3,(H,21,24)
InChIKeyNLTSJLPGPGMKDR-UHFFFAOYSA-N
XLogP2.09
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-propan-2-yl-1H-pyridazin-6-one
CID 138472065
5-cyclopropyl-4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
CID 138483659
4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 138483771
N-[(3,5-Difluorophenyl)methyl]-2-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]acetamide
CID 91907033
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-2-(2-fluorophenyl)acetamide
CID 91911787
4-Methyl-5-[4-[(2-methylphenyl)methyl]-3-oxo-1-piperazinyl]-3(2H)-pyridazinone
CID 138472270
N-[5-(dimethylamino)-1-methyl-6-oxopyridazin-4-yl]-2-(4-fluorophenyl)acetamide
CID 53102001
3-fluoro-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)benzamide
CID 53200748
5-[(3-chloro-4-methylphenyl)sulfonyl]-1-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 53200754
N-[3-(3-methylphenyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-4-propylbenzenesulfonamide
CID 53200801
N-(4-fluorobenzyl)-1-(6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinecarboxamide
CID 53202030
N-[(2-fluorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202036

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide (CID 53012191) is 2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide is Cn1ncc(NC(=O)Cc2cccc(F)c2)c(N2CCCCC2)c1=O.
What is the InChIKey of 2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide?
The InChIKey is NLTSJLPGPGMKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-22-18(25)17(23-8-3-2-4-9-23)15(12-20-22)21-16(24)11-13-6-5-7-14(19)10-13/h5-7,10,12H,2-4,8-9,11H2,1H3,(H,21,24).
What are the key properties of 2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide?
2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide has a molecular weight of 344.39 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide is sourced from PubChem (CID 53012191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).