2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide

C17H16F3N3O3 — CID 122278501

IUPAC2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1nc(C2CC2)ccc1=O
InChIInChI=1S/C17H16F3N3O3/c1-26-14-6-4-11(17(18,19)20)8-13(14)21-15(24)9-23-16(25)7-5-12(22-23)10-2-3-10/h4-8,10H,2-3,9H2,1H3,(H,21,24)
InChIKeyWLIOKISAPSFPRJ-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.79
Rot. Bonds5

About 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide

2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 122278501) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide
PubChem CID122278501
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Name2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1nc(C2CC2)ccc1=O
InChIInChI=1S/C17H16F3N3O3/c1-26-14-6-4-11(17(18,19)20)8-13(14)21-15(24)9-23-16(25)7-5-12(22-23)10-2-3-10/h4-8,10H,2-3,9H2,1H3,(H,21,24)
InChIKeyWLIOKISAPSFPRJ-UHFFFAOYSA-N
XLogP2.79
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide
CID 41376359
N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetamide
CID 41376487
2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide
CID 41376463
N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517349
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 122278445
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 122278568
N-[2-methoxy-5-(trifluoromethyl)phenyl]-2-(6-oxopyrimidin-1-yl)acetamide
CID 121064198
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide
CID 121064393
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-(4-methoxyphenyl)acetamide
CID 122278381
N-[2-methoxy-5-(trifluoromethyl)phenyl]-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885783
4-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide
CID 16885474
4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide
CID 16884696

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide (CID 122278501) is 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide is COc1ccc(C(F)(F)F)cc1NC(=O)Cn1nc(C2CC2)ccc1=O.
What is the InChIKey of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WLIOKISAPSFPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c1-26-14-6-4-11(17(18,19)20)8-13(14)21-15(24)9-23-16(25)7-5-12(22-23)10-2-3-10/h4-8,10H,2-3,9H2,1H3,(H,21,24).
What are the key properties of 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide?
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 367.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 122278501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).