1-cyclohexyl-6-methyl-2-oxopyridine-3-carboximidamide

C13H19N3O — CID 82524843

IUPAC1-cyclohexyl-6-methyl-2-oxopyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C)n(C2CCCCC2)c1=O
InChIInChI=1S/C13H19N3O/c1-9-7-8-11(12(14)15)13(17)16(9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H3,14,15)
InChIKeyRQUOFDOSBRLHFJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.95
Rot. Bonds2

About 1-cyclohexyl-6-methyl-2-oxopyridine-3-carboximidamide

1-cyclohexyl-6-methyl-2-oxopyridine-3-carboximidamide (PubChem CID 82524843) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-cyclohexyl-6-methyl-2-oxopyridine-3-carboximidamide.

Molecular Properties

Compound Name1-cyclohexyl-6-methyl-2-oxopyridine-3-carboximidamide
PubChem CID82524843
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-cyclohexyl-6-methyl-2-oxopyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C)n(C2CCCCC2)c1=O
InChIInChI=1S/C13H19N3O/c1-9-7-8-11(12(14)15)13(17)16(9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H3,14,15)
InChIKeyRQUOFDOSBRLHFJ-UHFFFAOYSA-N
XLogP1.95
TPSA71.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-6-methyl-2-oxopyridine-3-carboximidamide
CID 82525216
3-acetyl-1-cyclopropyl-6-methylpyridin-2-one
CID 82525165
1-cyclopropyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carboximidamide
CID 82520398
1-cyclopropyl-6-(3-methoxyphenyl)-2-oxopyridine-3-carboximidamide
CID 82518505
1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide
CID 598906
3-(aminomethyl)-1-cyclobutyl-6-methylpyridin-2-one
CID 105446451
3-acetyl-6-methyl-1-piperidin-4-ylpyridin-2-one
CID 82144520
2-(1-cyclopentyl-6-methyl-2-oxo-3-pyridinyl)acetyl chloride
CID 82524860
3-(aminomethyl)-1-cyclopropyl-6-methylpyridin-2-one
CID 82188971
2-methyl-4-(2-methylazepan-1-yl)benzenecarboximidamide
CID 81279467
2-cyclopentyloxy-4-methylbenzenecarboximidamide
CID 62308845
3-amino-1-cyclopentyl-4,6-dimethylpyridin-2-one
CID 82466701

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-methyl-2-oxopyridine-3-carboximidamide?
The IUPAC name of 1-cyclohexyl-6-methyl-2-oxopyridine-3-carboximidamide (CID 82524843) is 1-cyclohexyl-6-methyl-2-oxopyridine-3-carboximidamide.
What is the SMILES notation for 1-cyclohexyl-6-methyl-2-oxopyridine-3-carboximidamide?
The canonical SMILES for 1-cyclohexyl-6-methyl-2-oxopyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(C)n(C2CCCCC2)c1=O.
What is the InChIKey of 1-cyclohexyl-6-methyl-2-oxopyridine-3-carboximidamide?
The InChIKey is RQUOFDOSBRLHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-7-8-11(12(14)15)13(17)16(9)10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H3,14,15).
What are the key properties of 1-cyclohexyl-6-methyl-2-oxopyridine-3-carboximidamide?
1-cyclohexyl-6-methyl-2-oxopyridine-3-carboximidamide has a molecular weight of 233.31 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-methyl-2-oxopyridine-3-carboximidamide is sourced from PubChem (CID 82524843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).