N'-hydroxy-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide

C13H22N4O3 — CID 81053895

IUPACN'-hydroxy-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide
SMILESCOCC(O)CN(C)c1cc(C)nc(C)c1/C(N)=N/O
InChIInChI=1S/C13H22N4O3/c1-8-5-11(17(3)6-10(18)7-20-4)12(9(2)15-8)13(14)16-19/h5,10,18-19H,6-7H2,1-4H3,(H2,14,16)
InChIKeyBWOWMOXGMHZALD-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.24
Rot. Bonds6

About N'-hydroxy-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide

N'-hydroxy-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 81053895) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is N'-hydroxy-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide
PubChem CID81053895
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC NameN'-hydroxy-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide
SMILESCOCC(O)CN(C)c1cc(C)nc(C)c1/C(N)=N/O
InChIInChI=1S/C13H22N4O3/c1-8-5-11(17(3)6-10(18)7-20-4)12(9(2)15-8)13(14)16-19/h5,10,18-19H,6-7H2,1-4H3,(H2,14,16)
InChIKeyBWOWMOXGMHZALD-UHFFFAOYSA-N
XLogP0.24
TPSA104.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-4-[1-methoxypropan-2-yl(methyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81054520
N'-hydroxy-2,6-dimethyl-4-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboximidamide
CID 81054100
N'-hydroxy-4-(1-methoxypropan-2-yloxy)-2,6-dimethylpyridine-3-carboximidamide
CID 81054528
4-[cyclohexylmethyl(methyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81038134
N'-hydroxy-2,6-dimethyl-4-[methyl(2-thiophen-2-ylethyl)amino]pyridine-3-carboximidamide
CID 81035315
N'-hydroxy-4-(3-methoxypropoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 81054457
1-methoxy-3-[methyl-[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80811552
N'-hydroxy-2,6-dimethyl-4-[methyl(1-thiophen-2-ylethyl)amino]pyridine-3-carboximidamide
CID 81038136
1-(2-amino-N,4,5-trimethylanilino)-3-methoxypropan-2-ol
CID 114281243
1-[[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 54994894
N'-hydroxy-2,6-dimethyl-4-(3-methylbutylsulfanyl)pyridine-3-carboximidamide
CID 107749803
4-[ethyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81054312

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide (CID 81053895) is N'-hydroxy-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide is COCC(O)CN(C)c1cc(C)nc(C)c1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is BWOWMOXGMHZALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-8-5-11(17(3)6-10(18)7-20-4)12(9(2)15-8)13(14)16-19/h5,10,18-19H,6-7H2,1-4H3,(H2,14,16).
What are the key properties of N'-hydroxy-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide?
N'-hydroxy-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 282.34 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(2-hydroxy-3-methoxypropyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 81053895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).