2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-piperidin-3-yl]acetamide

C20H25FN4O2 — CID 162432213

IUPAC2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-piperidin-3-yl]acetamide
SMILESCC(C)c1nn(CC(=O)N[C@@H]2CCCNC2)c(=O)cc1-c1cccc(F)c1
InChIInChI=1S/C20H25FN4O2/c1-13(2)20-17(14-5-3-6-15(21)9-14)10-19(27)25(24-20)12-18(26)23-16-7-4-8-22-11-16/h3,5-6,9-10,13,16,22H,4,7-8,11-12H2,1-2H3,(H,23,26)/t16-/m1/s1
InChIKeyUAPFJBXUGLDUCL-MRXNPFEDSA-N
MW372.44 g/mol
LogP2.04
Rot. Bonds5

About 2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-piperidin-3-yl]acetamide

2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-piperidin-3-yl]acetamide (PubChem CID 162432213) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-piperidin-3-yl]acetamide
PubChem CID162432213
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-piperidin-3-yl]acetamide
SMILESCC(C)c1nn(CC(=O)N[C@@H]2CCCNC2)c(=O)cc1-c1cccc(F)c1
InChIInChI=1S/C20H25FN4O2/c1-13(2)20-17(14-5-3-6-15(21)9-14)10-19(27)25(24-20)12-18(26)23-16-7-4-8-22-11-16/h3,5-6,9-10,13,16,22H,4,7-8,11-12H2,1-2H3,(H,23,26)/t16-/m1/s1
InChIKeyUAPFJBXUGLDUCL-MRXNPFEDSA-N
XLogP2.04
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-Oxo-3-phenylpyridazin-1(6H)-yl)-N-(1-phenylethyl)ethanimidic acid
CID 5053474
2-(6-oxo-3-(p-tolyl)pyridazin-1(6H)-yl)-N-phenethylacetamide
CID 5070704
2-(2-oxo-2-piperidin-1-ylethyl)-6-phenylpyridazin-3(2H)-one
CID 5057198
N-(4-fluorobenzyl)-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3295263
N-(4-fluorobenzyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 4582595
N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 5099386
5-Methyl-6-phenyl-2-piperidin-4-yl-pyridazin-3-one
CID 66510155
N-[3-(4-methylpiperazin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3235823
N-[2-(diethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 3236319
N-[2-(2-methylpiperidin-1-yl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 3237431
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3237638
N-(2-methylcyclohexyl)-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3238833

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-piperidin-3-yl]acetamide?
The IUPAC name of 2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-piperidin-3-yl]acetamide (CID 162432213) is 2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-piperidin-3-yl]acetamide?
The canonical SMILES for 2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-piperidin-3-yl]acetamide is CC(C)c1nn(CC(=O)N[C@@H]2CCCNC2)c(=O)cc1-c1cccc(F)c1.
What is the InChIKey of 2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-piperidin-3-yl]acetamide?
The InChIKey is UAPFJBXUGLDUCL-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-13(2)20-17(14-5-3-6-15(21)9-14)10-19(27)25(24-20)12-18(26)23-16-7-4-8-22-11-16/h3,5-6,9-10,13,16,22H,4,7-8,11-12H2,1-2H3,(H,23,26)/t16-/m1/s1.
What are the key properties of 2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-piperidin-3-yl]acetamide?
2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-piperidin-3-yl]acetamide has a molecular weight of 372.44 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-[(3R)-piperidin-3-yl]acetamide is sourced from PubChem (CID 162432213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).