N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide

C15H23N3O3 — CID 65119314

IUPACN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC2(O)CCC(C)(C)CC2)ccc1=O
InChIInChI=1S/C15H23N3O3/c1-14(2)6-8-15(21,9-7-14)10-16-13(20)11-4-5-12(19)18(3)17-11/h4-5,21H,6-10H2,1-3H3,(H,16,20)
InChIKeyGKAIZQLRLIZPOP-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.84
Rot. Bonds3

About N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 65119314) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID65119314
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC2(O)CCC(C)(C)CC2)ccc1=O
InChIInChI=1S/C15H23N3O3/c1-14(2)6-8-15(21,9-7-14)10-16-13(20)11-4-5-12(19)18(3)17-11/h4-5,21H,6-10H2,1-3H3,(H,16,20)
InChIKeyGKAIZQLRLIZPOP-UHFFFAOYSA-N
XLogP0.84
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-Hydroxy-4-methylcyclohexyl)methyl]-6-(trifluoromethyl)pyridazin-3-one
CID 109394027
N-[2,2-difluoro-2-(1-hydroxycyclohexyl)ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 138022375
N-[(1-hydroxycyclopentyl)methyl]-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 49754476
N-[1-(hydroxymethyl)cyclohexyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 62519875
1-butyl-N-[(1-hydroxycyclopentyl)methyl]-6-oxopyridazine-3-carboxamide
CID 64176693
N-[(1-hydroxycyclopentyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 64176702
N-[(1-hydroxycycloheptyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 64459508
N-[(1-hydroxycycloheptyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 64459516
N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 64866558
N-[(1-hydroxycyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 65113562
N-[(1-hydroxycyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 65114040
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 65119000

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 65119314) is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NCC2(O)CCC(C)(C)CC2)ccc1=O.
What is the InChIKey of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is GKAIZQLRLIZPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-14(2)6-8-15(21,9-7-14)10-16-13(20)11-4-5-12(19)18(3)17-11/h4-5,21H,6-10H2,1-3H3,(H,16,20).
What are the key properties of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 65119314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).