N'-hydroxy-1-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-oxopyridine-3-carboximidamide

C12H19N3O4 — CID 107073636

IUPACN'-hydroxy-1-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-oxopyridine-3-carboximidamide
SMILESCOCCOCCn1c(C)ccc(/C(N)=N/O)c1=O
InChIInChI=1S/C12H19N3O4/c1-9-3-4-10(11(13)14-17)12(16)15(9)5-6-19-8-7-18-2/h3-4,17H,5-8H2,1-2H3,(H2,13,14)
InChIKeyNMIXKKGQLMOMAO-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.09
Rot. Bonds7

About N'-hydroxy-1-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-oxopyridine-3-carboximidamide

N'-hydroxy-1-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-oxopyridine-3-carboximidamide (PubChem CID 107073636) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is N'-hydroxy-1-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-oxopyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-oxopyridine-3-carboximidamide
PubChem CID107073636
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC NameN'-hydroxy-1-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-oxopyridine-3-carboximidamide
SMILESCOCCOCCn1c(C)ccc(/C(N)=N/O)c1=O
InChIInChI=1S/C12H19N3O4/c1-9-3-4-10(11(13)14-17)12(16)15(9)5-6-19-8-7-18-2/h3-4,17H,5-8H2,1-2H3,(H2,13,14)
InChIKeyNMIXKKGQLMOMAO-UHFFFAOYSA-N
XLogP-0.09
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-(3-methoxypropoxy)ethyl]-6-methyl-2-oxopyridine-3-carbothioamide
CID 107073334
N'-hydroxy-6-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboximidamide
CID 107073560
N'-hydroxy-6-methyl-1-(2-methylpropyl)-2-oxopyridine-3-carboximidamide
CID 97058136
1-[(3,5-dimethylphenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide
CID 107073608
N'-hydroxy-1-[(4-iodophenyl)methyl]-6-methyl-2-oxopyridine-3-carboximidamide
CID 107073611
1-[(5-bromothiophen-2-yl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide
CID 107073532
1-[(3-chloro-2-fluorophenyl)methyl]-N'-hydroxy-6-methyl-2-oxopyridine-3-carboximidamide
CID 107073648
3-(aminomethyl)-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 82188978
3-acetyl-1-[2-(4-methoxyphenoxy)ethyl]-6-methylpyridin-2-one
CID 82064779
N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]-5-methylbenzenecarboximidamide
CID 107930270
4-chloro-N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
CID 103402738
(E)-3-[1-(2-methoxyethyl)-6-methyl-2-oxo-3-pyridinyl]prop-2-enoic acid
CID 82524768

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-oxopyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-1-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-oxopyridine-3-carboximidamide (CID 107073636) is N'-hydroxy-1-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-oxopyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-oxopyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-1-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-oxopyridine-3-carboximidamide is COCCOCCn1c(C)ccc(/C(N)=N/O)c1=O.
What is the InChIKey of N'-hydroxy-1-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-oxopyridine-3-carboximidamide?
The InChIKey is NMIXKKGQLMOMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-9-3-4-10(11(13)14-17)12(16)15(9)5-6-19-8-7-18-2/h3-4,17H,5-8H2,1-2H3,(H2,13,14).
What are the key properties of N'-hydroxy-1-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-oxopyridine-3-carboximidamide?
N'-hydroxy-1-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-oxopyridine-3-carboximidamide has a molecular weight of 269.30 g/mol, XLogP of -0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-oxopyridine-3-carboximidamide is sourced from PubChem (CID 107073636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).