N'-hydroxy-4-[1-methoxypropan-2-yl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide

C13H22N4O2 — CID 81054520

IUPACN'-hydroxy-4-[1-methoxypropan-2-yl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide
SMILESCOCC(C)N(C)c1cc(C)nc(C)c1/C(N)=N/O
InChIInChI=1S/C13H22N4O2/c1-8-6-11(17(4)9(2)7-19-5)12(10(3)15-8)13(14)16-18/h6,9,18H,7H2,1-5H3,(H2,14,16)
InChIKeyBDNBRMJQLDGWOF-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.26
Rot. Bonds5

About N'-hydroxy-4-[1-methoxypropan-2-yl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide

N'-hydroxy-4-[1-methoxypropan-2-yl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 81054520) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N'-hydroxy-4-[1-methoxypropan-2-yl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[1-methoxypropan-2-yl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide
PubChem CID81054520
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN'-hydroxy-4-[1-methoxypropan-2-yl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide
SMILESCOCC(C)N(C)c1cc(C)nc(C)c1/C(N)=N/O
InChIInChI=1S/C13H22N4O2/c1-8-6-11(17(4)9(2)7-19-5)12(10(3)15-8)13(14)16-18/h6,9,18H,7H2,1-5H3,(H2,14,16)
InChIKeyBDNBRMJQLDGWOF-UHFFFAOYSA-N
XLogP1.26
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.26
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[1-methoxypropan-2-yl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-4-[1-methoxypropan-2-yl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide (CID 81054520) is N'-hydroxy-4-[1-methoxypropan-2-yl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[1-methoxypropan-2-yl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[1-methoxypropan-2-yl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide is COCC(C)N(C)c1cc(C)nc(C)c1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-4-[1-methoxypropan-2-yl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is BDNBRMJQLDGWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-8-6-11(17(4)9(2)7-19-5)12(10(3)15-8)13(14)16-18/h6,9,18H,7H2,1-5H3,(H2,14,16).
What are the key properties of N'-hydroxy-4-[1-methoxypropan-2-yl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide?
N'-hydroxy-4-[1-methoxypropan-2-yl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 266.34 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[1-methoxypropan-2-yl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 81054520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).