N-cyclopentyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide

C17H18FN3O2 — CID 3224412

IUPACN-cyclopentyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)NC1CCCC1
InChIInChI=1S/C17H18FN3O2/c18-13-7-5-12(6-8-13)15-9-10-17(23)21(20-15)11-16(22)19-14-3-1-2-4-14/h5-10,14H,1-4,11H2,(H,19,22)
InChIKeyMSFYYMMXPSNDKC-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.11
Rot. Bonds4

About N-cyclopentyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide

N-cyclopentyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 3224412) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID3224412
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC NameN-cyclopentyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)NC1CCCC1
InChIInChI=1S/C17H18FN3O2/c18-13-7-5-12(6-8-13)15-9-10-17(23)21(20-15)11-16(22)19-14-3-1-2-4-14/h5-10,14H,1-4,11H2,(H,19,22)
InChIKeyMSFYYMMXPSNDKC-UHFFFAOYSA-N
XLogP2.11
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053338
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-phenylacetamide
CID 7664403
N-cyclohexyl-3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 50836384
2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 95284309
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 6852091
6-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7664521
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)acetamide
CID 71794946
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224420
N-(2,5-difluorophenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46858972
N-cyclopentyl-2-[2-(4-fluorophenyl)-4-oxo-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]acetamide
CID 56685778
methyl 3-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate
CID 51054365
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(7-methyloctan-2-yl)acetamide
CID 56728951

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide (CID 3224412) is N-cyclopentyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide is O=C(Cn1nc(-c2ccc(F)cc2)ccc1=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is MSFYYMMXPSNDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-13-7-5-12(6-8-13)15-9-10-17(23)21(20-15)11-16(22)19-14-3-1-2-4-14/h5-10,14H,1-4,11H2,(H,19,22).
What are the key properties of N-cyclopentyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide?
N-cyclopentyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 315.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 3224412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).