N'-hydroxy-2-[3-hydroxybutyl(methyl)amino]-6-methylpyridine-4-carboximidamide

C12H20N4O2 — CID 136992386

IUPACN'-hydroxy-2-[3-hydroxybutyl(methyl)amino]-6-methylpyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(N(C)CCC(C)O)n1
InChIInChI=1S/C12H20N4O2/c1-8-6-10(12(13)15-18)7-11(14-8)16(3)5-4-9(2)17/h6-7,9,17-18H,4-5H2,1-3H3,(H2,13,15)
InChIKeyABWAIVAMBIIVLR-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.69
Rot. Bonds5

About N'-hydroxy-2-[3-hydroxybutyl(methyl)amino]-6-methylpyridine-4-carboximidamide

N'-hydroxy-2-[3-hydroxybutyl(methyl)amino]-6-methylpyridine-4-carboximidamide (PubChem CID 136992386) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N'-hydroxy-2-[3-hydroxybutyl(methyl)amino]-6-methylpyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[3-hydroxybutyl(methyl)amino]-6-methylpyridine-4-carboximidamide
PubChem CID136992386
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN'-hydroxy-2-[3-hydroxybutyl(methyl)amino]-6-methylpyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(N(C)CCC(C)O)n1
InChIInChI=1S/C12H20N4O2/c1-8-6-10(12(13)15-18)7-11(14-8)16(3)5-4-9(2)17/h6-7,9,17-18H,4-5H2,1-3H3,(H2,13,15)
InChIKeyABWAIVAMBIIVLR-UHFFFAOYSA-N
XLogP0.69
TPSA94.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.69
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[3-hydroxybutyl(methyl)amino]-6-methylpyridine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-[3-hydroxybutyl(methyl)amino]-6-methylpyridine-4-carboximidamide (CID 136992386) is N'-hydroxy-2-[3-hydroxybutyl(methyl)amino]-6-methylpyridine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[3-hydroxybutyl(methyl)amino]-6-methylpyridine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[3-hydroxybutyl(methyl)amino]-6-methylpyridine-4-carboximidamide is Cc1cc(/C(N)=N/O)cc(N(C)CCC(C)O)n1.
What is the InChIKey of N'-hydroxy-2-[3-hydroxybutyl(methyl)amino]-6-methylpyridine-4-carboximidamide?
The InChIKey is ABWAIVAMBIIVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8-6-10(12(13)15-18)7-11(14-8)16(3)5-4-9(2)17/h6-7,9,17-18H,4-5H2,1-3H3,(H2,13,15).
What are the key properties of N'-hydroxy-2-[3-hydroxybutyl(methyl)amino]-6-methylpyridine-4-carboximidamide?
N'-hydroxy-2-[3-hydroxybutyl(methyl)amino]-6-methylpyridine-4-carboximidamide has a molecular weight of 252.32 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[3-hydroxybutyl(methyl)amino]-6-methylpyridine-4-carboximidamide is sourced from PubChem (CID 136992386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).