1-butyl-N'-hydroxy-4,6-dimethyl-2-oxopyridine-3-carboximidamide

C12H19N3O2 — CID 73402979

IUPAC1-butyl-N'-hydroxy-4,6-dimethyl-2-oxopyridine-3-carboximidamide
SMILESCCCCn1c(C)cc(C)c(C(N)=NO)c1=O
InChIInChI=1S/C12H19N3O2/c1-4-5-6-15-9(3)7-8(2)10(12(15)16)11(13)14-17/h7,17H,4-6H2,1-3H3,(H2,13,14)
InChIKeyCFOMHULVELKLAT-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.36
Rot. Bonds4

About 1-butyl-N'-hydroxy-4,6-dimethyl-2-oxopyridine-3-carboximidamide

1-butyl-N'-hydroxy-4,6-dimethyl-2-oxopyridine-3-carboximidamide (PubChem CID 73402979) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-butyl-N'-hydroxy-4,6-dimethyl-2-oxopyridine-3-carboximidamide.

Molecular Properties

Compound Name1-butyl-N'-hydroxy-4,6-dimethyl-2-oxopyridine-3-carboximidamide
PubChem CID73402979
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-butyl-N'-hydroxy-4,6-dimethyl-2-oxopyridine-3-carboximidamide
SMILESCCCCn1c(C)cc(C)c(C(N)=NO)c1=O
InChIInChI=1S/C12H19N3O2/c1-4-5-6-15-9(3)7-8(2)10(12(15)16)11(13)14-17/h7,17H,4-6H2,1-3H3,(H2,13,14)
InChIKeyCFOMHULVELKLAT-UHFFFAOYSA-N
XLogP1.36
TPSA80.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-amino-3-oxopropyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid
CID 62859788
3-(1-aminoethyl)-4,6-dimethyl-1-pentylpyridin-2-one
CID 82525815
3-(ethylaminomethyl)-4,6-dimethyl-1-pentylpyridin-2-one
CID 82525846
1-butyl-4,6-dimethyl-3-(propylaminomethyl)pyridin-2-one
CID 82525976
3-[amino-(4-methylphenyl)methyl]-1-butyl-4,6-dimethylpyridin-2-one
CID 82525958
1-hept-6-enyl-4,6-dimethyl-2-oxopyridine-3-carboxylic acid
CID 107007551
N'-hydroxy-1-(3-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carboximidamide
CID 73402854
diethyl 1-butyl-6-methyl-4-oxopyridine-2,3-dicarboxylate
CID 67893450
4,6-dimethyl-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboxylic acid
CID 62862101
N-[(2R)-1-amino-1-oxopropan-2-yl]-1-ethyl-4,6-dimethyl-2-oxopyridine-3-carboxamide
CID 77091531
1-decyl-6-methyl-2-oxopyridine-3-carbothioamide
CID 107073368
6-methyl-1-nonyl-2-oxopyridine-3-carbothioamide
CID 107073273

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N'-hydroxy-4,6-dimethyl-2-oxopyridine-3-carboximidamide?
The IUPAC name of 1-butyl-N'-hydroxy-4,6-dimethyl-2-oxopyridine-3-carboximidamide (CID 73402979) is 1-butyl-N'-hydroxy-4,6-dimethyl-2-oxopyridine-3-carboximidamide.
What is the SMILES notation for 1-butyl-N'-hydroxy-4,6-dimethyl-2-oxopyridine-3-carboximidamide?
The canonical SMILES for 1-butyl-N'-hydroxy-4,6-dimethyl-2-oxopyridine-3-carboximidamide is CCCCn1c(C)cc(C)c(C(N)=NO)c1=O.
What is the InChIKey of 1-butyl-N'-hydroxy-4,6-dimethyl-2-oxopyridine-3-carboximidamide?
The InChIKey is CFOMHULVELKLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-5-6-15-9(3)7-8(2)10(12(15)16)11(13)14-17/h7,17H,4-6H2,1-3H3,(H2,13,14).
What are the key properties of 1-butyl-N'-hydroxy-4,6-dimethyl-2-oxopyridine-3-carboximidamide?
1-butyl-N'-hydroxy-4,6-dimethyl-2-oxopyridine-3-carboximidamide has a molecular weight of 237.30 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N'-hydroxy-4,6-dimethyl-2-oxopyridine-3-carboximidamide is sourced from PubChem (CID 73402979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).