(2S)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide

C18H14F3N3O4 — CID 52906560

IUPAC(2S)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide
SMILESC[C@@H](C(=O)Nc1ccccc1OC(F)(F)F)n1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C18H14F3N3O4/c1-11(24-16(25)9-8-13(23-24)14-7-4-10-27-14)17(26)22-12-5-2-3-6-15(12)28-18(19,20)21/h2-11H,1H3,(H,22,26)/t11-/m0/s1
InChIKeyHOBJUZAPKAMVRT-NSHDSACASA-N
MW393.32 g/mol
LogP3.60
Rot. Bonds5

About (2S)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide

(2S)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide (PubChem CID 52906560) has the molecular formula C18H14F3N3O4 and a molecular weight of 393.32 g/mol. Its IUPAC name is (2S)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide
PubChem CID52906560
Molecular FormulaC18H14F3N3O4
Molecular Weight393.32 g/mol
Exact Mass393.09
IUPAC Name(2S)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide
SMILESC[C@@H](C(=O)Nc1ccccc1OC(F)(F)F)n1nc(-c2ccco2)ccc1=O
InChIInChI=1S/C18H14F3N3O4/c1-11(24-16(25)9-8-13(23-24)14-7-4-10-27-14)17(26)22-12-5-2-3-6-15(12)28-18(19,20)21/h2-11H,1H3,(H,22,26)/t11-/m0/s1
InChIKeyHOBJUZAPKAMVRT-NSHDSACASA-N
XLogP3.60
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 121075999
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 121076062
N-(1,3-benzothiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 121076019
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,2-oxazol-3-yl)propanamide
CID 121076102
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 121076228
N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 121076031
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 56723989
N-(3-chlorophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 121076032
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methyl-1,3-benzothiazol-5-yl)propanamide
CID 121076227
2-[1-(4-acetylpiperazin-1-yl)-1-oxopropan-2-yl]-6-(furan-2-yl)pyridazin-3-one
CID 121076220
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 122278784
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 121076284

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of (2S)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide (CID 52906560) is (2S)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for (2S)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for (2S)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide is C[C@@H](C(=O)Nc1ccccc1OC(F)(F)F)n1nc(-c2ccco2)ccc1=O.
What is the InChIKey of (2S)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is HOBJUZAPKAMVRT-NSHDSACASA-N. The full InChI is InChI=1S/C18H14F3N3O4/c1-11(24-16(25)9-8-13(23-24)14-7-4-10-27-14)17(26)22-12-5-2-3-6-15(12)28-18(19,20)21/h2-11H,1H3,(H,22,26)/t11-/m0/s1.
What are the key properties of (2S)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide?
(2S)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 393.32 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 52906560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).