2-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyridine-3-carboximidamide

C12H20N4O2 — CID 76916311

IUPAC2-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(C(N)=NO)c(OCCCN(C)C)n1
InChIInChI=1S/C12H20N4O2/c1-9-5-6-10(11(13)15-17)12(14-9)18-8-4-7-16(2)3/h5-6,17H,4,7-8H2,1-3H3,(H2,13,15)
InChIKeyDUPOJZLQPUKNHO-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.82
Rot. Bonds6

About 2-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyridine-3-carboximidamide

2-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyridine-3-carboximidamide (PubChem CID 76916311) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyridine-3-carboximidamide
PubChem CID76916311
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(C(N)=NO)c(OCCCN(C)C)n1
InChIInChI=1S/C12H20N4O2/c1-9-5-6-10(11(13)15-17)12(14-9)18-8-4-7-16(2)3/h5-6,17H,4,7-8H2,1-3H3,(H2,13,15)
InChIKeyDUPOJZLQPUKNHO-UHFFFAOYSA-N
XLogP0.82
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-heptoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916332
N'-hydroxy-6-methyl-2-(4,4,4-trifluorobutoxy)pyridine-3-carboximidamide
CID 82788948
2-ethoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916350
2-(2-cyclobutylethoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 114157502
2-(2-ethoxyphenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916371
2-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136907295
N'-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide
CID 56675946
3-[3-(dimethylamino)propoxy]-6-methylpyridin-2-amine
CID 114524613
N'-hydroxy-6-methyl-2-[methyl(pentyl)amino]pyridine-3-carboximidamide
CID 76916150
N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-carboximidamide
CID 76916322
2-(3,5-dimethylcyclohexyl)oxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 77054170
N'-hydroxy-2-[2-(2-hydroxyethyl)phenoxy]-6-methylpyridine-3-carboximidamide
CID 107712563

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The IUPAC name of 2-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyridine-3-carboximidamide (CID 76916311) is 2-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyridine-3-carboximidamide is Cc1ccc(C(N)=NO)c(OCCCN(C)C)n1.
What is the InChIKey of 2-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The InChIKey is DUPOJZLQPUKNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9-5-6-10(11(13)15-17)12(14-9)18-8-4-7-16(2)3/h5-6,17H,4,7-8H2,1-3H3,(H2,13,15).
What are the key properties of 2-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyridine-3-carboximidamide?
2-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyridine-3-carboximidamide has a molecular weight of 252.32 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propoxy]-N'-hydroxy-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 76916311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).