N'-(1,3-dimethoxypropan-2-yl)-6-methoxypyridine-2-carboximidamide

C12H19N3O3 — CID 139548383

IUPACN'-(1,3-dimethoxypropan-2-yl)-6-methoxypyridine-2-carboximidamide
SMILESCOCC(COC)/N=C(\N)c1cccc(OC)n1
InChIInChI=1S/C12H19N3O3/c1-16-7-9(8-17-2)14-12(13)10-5-4-6-11(15-10)18-3/h4-6,9H,7-8H2,1-3H3,(H2,13,14)
InChIKeyLPLOMPLQHCAMGA-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.46
Rot. Bonds7

About N'-(1,3-dimethoxypropan-2-yl)-6-methoxypyridine-2-carboximidamide

N'-(1,3-dimethoxypropan-2-yl)-6-methoxypyridine-2-carboximidamide (PubChem CID 139548383) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is N'-(1,3-dimethoxypropan-2-yl)-6-methoxypyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-(1,3-dimethoxypropan-2-yl)-6-methoxypyridine-2-carboximidamide
PubChem CID139548383
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC NameN'-(1,3-dimethoxypropan-2-yl)-6-methoxypyridine-2-carboximidamide
SMILESCOCC(COC)/N=C(\N)c1cccc(OC)n1
InChIInChI=1S/C12H19N3O3/c1-16-7-9(8-17-2)14-12(13)10-5-4-6-11(15-10)18-3/h4-6,9H,7-8H2,1-3H3,(H2,13,14)
InChIKeyLPLOMPLQHCAMGA-UHFFFAOYSA-N
XLogP0.46
TPSA78.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-6-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide
CID 136867043
6-methoxypyridine-2-carboxamide;hydrochloride
CID 172737528
6-methoxypyridine-2-carbonyl chloride
CID 86688296
6-methoxy-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 84581499
3-methoxy-2-[(6-methoxy-2-pyridinyl)amino]propan-1-ol
CID 106186402
1-(6-methoxy-2-pyridinyl)-2-methylpentane-1,4-dione
CID 103347929
3-methoxy-2-N-(6-methoxy-2-pyridinyl)propane-1,2-diamine
CID 106181643
6-methoxy-N'-propan-2-ylpyridazine-3-carboximidamide
CID 103375255
N-butan-2-yl-6-methoxypyridine-2-carboxamide
CID 110848498
1-(6-methoxy-2-pyridinyl)-3-phenylpropane-1,3-dione
CID 156773654
1-(6-methoxy-2-pyridinyl)-2-(methylamino)ethanone;dihydrochloride
CID 135349233
2-[(6-methoxy-2-pyridinyl)oxy]ethanol
CID 139263973

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-dimethoxypropan-2-yl)-6-methoxypyridine-2-carboximidamide?
The IUPAC name of N'-(1,3-dimethoxypropan-2-yl)-6-methoxypyridine-2-carboximidamide (CID 139548383) is N'-(1,3-dimethoxypropan-2-yl)-6-methoxypyridine-2-carboximidamide.
What is the SMILES notation for N'-(1,3-dimethoxypropan-2-yl)-6-methoxypyridine-2-carboximidamide?
The canonical SMILES for N'-(1,3-dimethoxypropan-2-yl)-6-methoxypyridine-2-carboximidamide is COCC(COC)/N=C(\N)c1cccc(OC)n1.
What is the InChIKey of N'-(1,3-dimethoxypropan-2-yl)-6-methoxypyridine-2-carboximidamide?
The InChIKey is LPLOMPLQHCAMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-16-7-9(8-17-2)14-12(13)10-5-4-6-11(15-10)18-3/h4-6,9H,7-8H2,1-3H3,(H2,13,14).
What are the key properties of N'-(1,3-dimethoxypropan-2-yl)-6-methoxypyridine-2-carboximidamide?
N'-(1,3-dimethoxypropan-2-yl)-6-methoxypyridine-2-carboximidamide has a molecular weight of 253.30 g/mol, XLogP of 0.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-dimethoxypropan-2-yl)-6-methoxypyridine-2-carboximidamide is sourced from PubChem (CID 139548383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).