N-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide

C20H19FN4O2 — CID 121101287

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
SMILESCC(C(=O)NCCc1ccc(F)cc1)n1nc(-c2ccncc2)ccc1=O
InChIInChI=1S/C20H19FN4O2/c1-14(20(27)23-13-8-15-2-4-17(21)5-3-15)25-19(26)7-6-18(24-25)16-9-11-22-12-10-16/h2-7,9-12,14H,8,13H2,1H3,(H,23,27)
InChIKeyZWWNZLOKSCODOZ-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.36
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide

N-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide (PubChem CID 121101287) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
PubChem CID121101287
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
SMILESCC(C(=O)NCCc1ccc(F)cc1)n1nc(-c2ccncc2)ccc1=O
InChIInChI=1S/C20H19FN4O2/c1-14(20(27)23-13-8-15-2-4-17(21)5-3-15)25-19(26)7-6-18(24-25)16-9-11-22-12-10-16/h2-7,9-12,14H,8,13H2,1H3,(H,23,27)
InChIKeyZWWNZLOKSCODOZ-UHFFFAOYSA-N
XLogP2.36
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101299
N-[2-(4-chlorophenyl)ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121101013
2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 121101323
N-(2-fluorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101246
N-[2-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanoylamino]ethyl]-4-(propanoylamino)benzamide
CID 121101308
N-(2,5-dimethylphenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101160
N-(oxolan-2-ylmethyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101082
N-[4-(2-acetamidoethoxy)phenyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101317
N-(3,3-diphenylpropyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 121075800
N,N-dibenzyl-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101195
N-(2-methylcyclohexyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101080
N-[(4-methylphenyl)methyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121100875

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide (CID 121101287) is N-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide is CC(C(=O)NCCc1ccc(F)cc1)n1nc(-c2ccncc2)ccc1=O.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide?
The InChIKey is ZWWNZLOKSCODOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-14(20(27)23-13-8-15-2-4-17(21)5-3-15)25-19(26)7-6-18(24-25)16-9-11-22-12-10-16/h2-7,9-12,14H,8,13H2,1H3,(H,23,27).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide?
N-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide has a molecular weight of 366.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide is sourced from PubChem (CID 121101287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).