N-(3,5-dimethylcyclohexyl)-1-(2-fluoroethyl)-6-oxopyridazine-3-carboxamide

C15H22FN3O2 — CID 126836195

IUPACN-(3,5-dimethylcyclohexyl)-1-(2-fluoroethyl)-6-oxopyridazine-3-carboxamide
SMILESCC1CC(C)CC(NC(=O)c2ccc(=O)n(CCF)n2)C1
InChIInChI=1S/C15H22FN3O2/c1-10-7-11(2)9-12(8-10)17-15(21)13-3-4-14(20)19(18-13)6-5-16/h3-4,10-12H,5-9H2,1-2H3,(H,17,21)
InChIKeyCUHSJGPJHOHQQN-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.77
Rot. Bonds4

About N-(3,5-dimethylcyclohexyl)-1-(2-fluoroethyl)-6-oxopyridazine-3-carboxamide

N-(3,5-dimethylcyclohexyl)-1-(2-fluoroethyl)-6-oxopyridazine-3-carboxamide (PubChem CID 126836195) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(3,5-dimethylcyclohexyl)-1-(2-fluoroethyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylcyclohexyl)-1-(2-fluoroethyl)-6-oxopyridazine-3-carboxamide
PubChem CID126836195
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC NameN-(3,5-dimethylcyclohexyl)-1-(2-fluoroethyl)-6-oxopyridazine-3-carboxamide
SMILESCC1CC(C)CC(NC(=O)c2ccc(=O)n(CCF)n2)C1
InChIInChI=1S/C15H22FN3O2/c1-10-7-11(2)9-12(8-10)17-15(21)13-3-4-14(20)19(18-13)6-5-16/h3-4,10-12H,5-9H2,1-2H3,(H,17,21)
InChIKeyCUHSJGPJHOHQQN-UHFFFAOYSA-N
XLogP1.77
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylcyclohexyl)-1-(2-fluoroethyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(3,5-dimethylcyclohexyl)-1-(2-fluoroethyl)-6-oxopyridazine-3-carboxamide (CID 126836195) is N-(3,5-dimethylcyclohexyl)-1-(2-fluoroethyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethylcyclohexyl)-1-(2-fluoroethyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethylcyclohexyl)-1-(2-fluoroethyl)-6-oxopyridazine-3-carboxamide is CC1CC(C)CC(NC(=O)c2ccc(=O)n(CCF)n2)C1.
What is the InChIKey of N-(3,5-dimethylcyclohexyl)-1-(2-fluoroethyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is CUHSJGPJHOHQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-10-7-11(2)9-12(8-10)17-15(21)13-3-4-14(20)19(18-13)6-5-16/h3-4,10-12H,5-9H2,1-2H3,(H,17,21).
What are the key properties of N-(3,5-dimethylcyclohexyl)-1-(2-fluoroethyl)-6-oxopyridazine-3-carboxamide?
N-(3,5-dimethylcyclohexyl)-1-(2-fluoroethyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylcyclohexyl)-1-(2-fluoroethyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 126836195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).