2-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboximidamide

C12H20N4O — CID 62984137

IUPAC2-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C)nc1N(C)CCCOC
InChIInChI=1S/C12H20N4O/c1-9-5-6-10(11(13)14)12(15-9)16(2)7-4-8-17-3/h5-6H,4,7-8H2,1-3H3,(H3,13,14)
InChIKeyZWNDFLDBDNDKHZ-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.15
Rot. Bonds6

About 2-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboximidamide

2-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboximidamide (PubChem CID 62984137) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboximidamide
PubChem CID62984137
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(C)nc1N(C)CCCOC
InChIInChI=1S/C12H20N4O/c1-9-5-6-10(11(13)14)12(15-9)16(2)7-4-8-17-3/h5-6H,4,7-8H2,1-3H3,(H3,13,14)
InChIKeyZWNDFLDBDNDKHZ-UHFFFAOYSA-N
XLogP1.15
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-[2-methoxyethyl(propan-2-yl)amino]-6-methylpyridine-3-carboximidamide
CID 82951585
4-[3-methoxypropyl(methyl)amino]-2-methylbenzenecarboximidamide
CID 81279372
6-methyl-2-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridine-3-carboximidamide
CID 63207811
2-[cyclobutyl(3-hydroxypropyl)amino]-6-methylpyridine-3-carboximidamide
CID 102862991
2-[2-[di(propan-2-yl)amino]ethoxy]-6-methylpyridine-3-carboximidamide
CID 115505587
3-[2-ethoxyethyl(methyl)amino]pyridazine-4-carboximidamide
CID 81056507
N'-hydroxy-6-methyl-2-[methyl(pentyl)amino]pyridine-3-carboximidamide
CID 76916150
2-[methyl(3,3,3-trifluoropropyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875005
3-(aminomethyl)-N-(3-methoxypropyl)-N,4,6-trimethylpyridin-2-amine
CID 62983904
2-[2-ethoxyethyl(methyl)amino]-4,6-dimethylpyridine-3-carboximidamide
CID 81055007
2-[methyl(2,2,2-trifluoroethyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877125
2-[2,2-dimethylpropyl(methyl)amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877396

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboximidamide?
The IUPAC name of 2-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboximidamide (CID 62984137) is 2-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(C)nc1N(C)CCCOC.
What is the InChIKey of 2-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboximidamide?
The InChIKey is ZWNDFLDBDNDKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-5-6-10(11(13)14)12(15-9)16(2)7-4-8-17-3/h5-6H,4,7-8H2,1-3H3,(H3,13,14).
What are the key properties of 2-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboximidamide?
2-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboximidamide has a molecular weight of 236.32 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxypropyl(methyl)amino]-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 62984137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).