N-(cyclohexylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide

C17H21F3N4O3 — CID 55875175

IUPACN-(cyclohexylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C17H21F3N4O3/c18-17(19,20)12-8-13(10-6-7-10)23-24(15(12)26)9-14(25)22-16(27)21-11-4-2-1-3-5-11/h8,10-11H,1-7,9H2,(H2,21,22,25,27)
InChIKeyMVBJHHBVMRCJSO-UHFFFAOYSA-N
MW386.37 g/mol
LogP2.30
Rot. Bonds4

About N-(cyclohexylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide

N-(cyclohexylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide (PubChem CID 55875175) has the molecular formula C17H21F3N4O3 and a molecular weight of 386.37 g/mol. Its IUPAC name is N-(cyclohexylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
PubChem CID55875175
Molecular FormulaC17H21F3N4O3
Molecular Weight386.37 g/mol
Exact Mass386.16
IUPAC NameN-(cyclohexylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C17H21F3N4O3/c18-17(19,20)12-8-13(10-6-7-10)23-24(15(12)26)9-14(25)22-16(27)21-11-4-2-1-3-5-11/h8,10-11H,1-7,9H2,(H2,21,22,25,27)
InChIKeyMVBJHHBVMRCJSO-UHFFFAOYSA-N
XLogP2.30
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[4-(3-methylphenoxy)phenyl]acetamide
CID 55876072
6-cyclopropyl-2-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-4-(trifluoromethyl)pyridazin-3-one
CID 55874273
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 55874532
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
CID 55875043
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 55875167
N-(4-chlorophenyl)-2-[[2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetyl]amino]benzamide
CID 55875040
N-(cyclopentylcarbamoyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 27040105
N-[3-cyano-1-(4-fluorophenyl)-4,5-dimethylpyrrol-2-yl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
CID 55876063
N-[(5-chlorothiophen-2-yl)methyl]-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-methylacetamide
CID 55874278
N-cyclohexyl-2-(3,5-dibromopyrazol-1-yl)acetamide
CID 114692778
2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide
CID 8895713
6-cyclopropyl-2-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one
CID 55874406

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide?
The IUPAC name of N-(cyclohexylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide (CID 55875175) is N-(cyclohexylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide.
What is the SMILES notation for N-(cyclohexylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide?
The canonical SMILES for N-(cyclohexylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide is O=C(Cn1nc(C2CC2)cc(C(F)(F)F)c1=O)NC(=O)NC1CCCCC1.
What is the InChIKey of N-(cyclohexylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide?
The InChIKey is MVBJHHBVMRCJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O3/c18-17(19,20)12-8-13(10-6-7-10)23-24(15(12)26)9-14(25)22-16(27)21-11-4-2-1-3-5-11/h8,10-11H,1-7,9H2,(H2,21,22,25,27).
What are the key properties of N-(cyclohexylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide?
N-(cyclohexylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide has a molecular weight of 386.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide is sourced from PubChem (CID 55875175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).