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

C16H16FN3O2 — CID 3224533

IUPACN-(cyclopropylmethyl)-2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2ccccc2F)ccc1=O)NCC1CC1
InChIInChI=1S/C16H16FN3O2/c17-13-4-2-1-3-12(13)14-7-8-16(22)20(19-14)10-15(21)18-9-11-5-6-11/h1-4,7-8,11H,5-6,9-10H2,(H,18,21)
InChIKeyQGYMARSHDVZZPF-UHFFFAOYSA-N
MW301.32 g/mol
LogP1.58
Rot. Bonds5

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

N-(cyclopropylmethyl)-2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 3224533) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID3224533
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC NameN-(cyclopropylmethyl)-2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2ccccc2F)ccc1=O)NCC1CC1
InChIInChI=1S/C16H16FN3O2/c17-13-4-2-1-3-12(13)14-7-8-16(22)20(19-14)10-15(21)18-9-11-5-6-11/h1-4,7-8,11H,5-6,9-10H2,(H,18,21)
InChIKeyQGYMARSHDVZZPF-UHFFFAOYSA-N
XLogP1.58
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
N-benzyl-3-[3-(4-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]propanamide
CID 2810676
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
(Z)-N-[1-Methyl-2-phenyl-eth-(E)-ylidene-hydrazinocarbonylmethyl]-3-phenyl-acrylamide
CID 9699567
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-allyl-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3236540
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3237638

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetamide (CID 3224533) is N-(cyclopropylmethyl)-2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetamide is O=C(Cn1nc(-c2ccccc2F)ccc1=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is QGYMARSHDVZZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-13-4-2-1-3-12(13)14-7-8-16(22)20(19-14)10-15(21)18-9-11-5-6-11/h1-4,7-8,11H,5-6,9-10H2,(H,18,21).
What are the key properties of N-(cyclopropylmethyl)-2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetamide?
N-(cyclopropylmethyl)-2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 301.32 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 3224533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).