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

C18H23F3N4O3 — CID 55874279

IUPAC2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
SMILESCC1CCCCC1NC(=O)NC(=O)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O
InChIInChI=1S/C18H23F3N4O3/c1-10-4-2-3-5-13(10)22-17(28)23-15(26)9-25-16(27)12(18(19,20)21)8-14(24-25)11-6-7-11/h8,10-11,13H,2-7,9H2,1H3,(H2,22,23,26,28)
InChIKeySECBXEMIGRHXHS-UHFFFAOYSA-N
MW400.40 g/mol
LogP2.54
Rot. Bonds4

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

2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide (PubChem CID 55874279) has the molecular formula C18H23F3N4O3 and a molecular weight of 400.40 g/mol. Its IUPAC name is 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
PubChem CID55874279
Molecular FormulaC18H23F3N4O3
Molecular Weight400.40 g/mol
Exact Mass400.17
IUPAC Name2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide
SMILESCC1CCCCC1NC(=O)NC(=O)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O
InChIInChI=1S/C18H23F3N4O3/c1-10-4-2-3-5-13(10)22-17(28)23-15(26)9-25-16(27)12(18(19,20)21)8-14(24-25)11-6-7-11/h8,10-11,13H,2-7,9H2,1H3,(H2,22,23,26,28)
InChIKeySECBXEMIGRHXHS-UHFFFAOYSA-N
XLogP2.54
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
The IUPAC name of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide (CID 55874279) is 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide.
What is the SMILES notation for 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
The canonical SMILES for 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide is CC1CCCCC1NC(=O)NC(=O)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O.
What is the InChIKey of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
The InChIKey is SECBXEMIGRHXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N4O3/c1-10-4-2-3-5-13(10)22-17(28)23-15(26)9-25-16(27)12(18(19,20)21)8-14(24-25)11-6-7-11/h8,10-11,13H,2-7,9H2,1H3,(H2,22,23,26,28).
What are the key properties of 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide?
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide has a molecular weight of 400.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-[(2-methylcyclohexyl)carbamoyl]acetamide is sourced from PubChem (CID 55874279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).