N'-hydroxy-1-(3-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carboximidamide

C15H17N3O3 — CID 73402854

IUPACN'-hydroxy-1-(3-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carboximidamide
SMILESCOc1cccc(-n2c(C)cc(C)c(C(N)=NO)c2=O)c1
InChIInChI=1S/C15H17N3O3/c1-9-7-10(2)18(15(19)13(9)14(16)17-20)11-5-4-6-12(8-11)21-3/h4-8,20H,1-3H3,(H2,16,17)
InChIKeyRVIFKGYYGVPITM-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.56
Rot. Bonds3

About N'-hydroxy-1-(3-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carboximidamide

N'-hydroxy-1-(3-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carboximidamide (PubChem CID 73402854) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N'-hydroxy-1-(3-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(3-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carboximidamide
PubChem CID73402854
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN'-hydroxy-1-(3-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carboximidamide
SMILESCOc1cccc(-n2c(C)cc(C)c(C(N)=NO)c2=O)c1
InChIInChI=1S/C15H17N3O3/c1-9-7-10(2)18(15(19)13(9)14(16)17-20)11-5-4-6-12(8-11)21-3/h4-8,20H,1-3H3,(H2,16,17)
InChIKeyRVIFKGYYGVPITM-UHFFFAOYSA-N
XLogP1.56
TPSA89.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N'-hydroxy-2-(3-methoxyphenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175614
N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 56799041
4-(3-methoxyphenyl)-3-methyl-1H-1,2,4-triazol-5-one
CID 3843100
1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonitrile
CID 20888478
N'-hydroxy-2,6-dimethylbenzenecarboximidamide
CID 6299742
3-[6-(3-methoxyphenyl)-5,7-dimethyl-4-oxopyrrolo[3,4-d]pyridazin-3-yl]benzamide
CID 171059481
ethyl 1-(3-methoxyphenyl)-5-methyl-2-phenylpyrrole-3-carboxylate
CID 59324439
2-bromo-N'-hydroxy-6-(3-methoxy-N-methylanilino)benzenecarboximidamide
CID 114883224
N-(2,3-dimethylphenyl)-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727129
5-hydroxy-1-(3-methoxyphenyl)-2-methylpyridin-4-one
CID 130407768
1,2-bis(3-methoxyphenyl)-5-methylpyrrole
CID 91755634
5-fluoro-N'-hydroxy-2-(3-methoxyphenoxy)benzenecarboximidamide
CID 77004508

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(3-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-1-(3-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carboximidamide (CID 73402854) is N'-hydroxy-1-(3-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(3-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(3-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carboximidamide is COc1cccc(-n2c(C)cc(C)c(C(N)=NO)c2=O)c1.
What is the InChIKey of N'-hydroxy-1-(3-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carboximidamide?
The InChIKey is RVIFKGYYGVPITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-7-10(2)18(15(19)13(9)14(16)17-20)11-5-4-6-12(8-11)21-3/h4-8,20H,1-3H3,(H2,16,17).
What are the key properties of N'-hydroxy-1-(3-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carboximidamide?
N'-hydroxy-1-(3-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carboximidamide has a molecular weight of 287.32 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(3-methoxyphenyl)-4,6-dimethyl-2-oxopyridine-3-carboximidamide is sourced from PubChem (CID 73402854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).