2-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-4-carboximidamide

C13H22N4O2 — CID 54985064

IUPAC2-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(CCCOC)CCOC)c1
InChIInChI=1S/C13H22N4O2/c1-18-8-3-6-17(7-9-19-2)12-10-11(13(14)15)4-5-16-12/h4-5,10H,3,6-9H2,1-2H3,(H3,14,15)
InChIKeyXILGDYYWSQXXMG-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.85
Rot. Bonds9

About 2-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-4-carboximidamide

2-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-4-carboximidamide (PubChem CID 54985064) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-4-carboximidamide
PubChem CID54985064
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(CCCOC)CCOC)c1
InChIInChI=1S/C13H22N4O2/c1-18-8-3-6-17(7-9-19-2)12-10-11(13(14)15)4-5-16-12/h4-5,10H,3,6-9H2,1-2H3,(H3,14,15)
InChIKeyXILGDYYWSQXXMG-UHFFFAOYSA-N
XLogP0.85
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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(3-methoxypropyl)amino]pyridine-4-carbothioamide
CID 54990055
2-[cyclopropyl(2-methoxyethyl)amino]pyridine-4-carboximidamide
CID 54946566
[2-[2-methoxyethyl(3-methoxypropyl)amino]-4-pyridinyl]methanol
CID 54989948
2-[methyl(propyl)amino]pyridine-4-carboximidamide
CID 43271318
2-[propyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide
CID 55010418
4-[bis(2-methoxyethyl)amino]-3-bromobenzenecarboximidamide
CID 82799955
2-[cyclobutylmethyl(ethyl)amino]pyridine-4-carboximidamide
CID 107399029
2-[ethyl(2-methylbutyl)amino]pyridine-4-carboximidamide
CID 79477749
4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114483465
2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide
CID 60891190
2-[2-methoxyethyl(2-methylpropyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768958
6-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridazin-3-amine
CID 62284666

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-4-carboximidamide?
The IUPAC name of 2-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-4-carboximidamide (CID 54985064) is 2-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-4-carboximidamide.
What is the SMILES notation for 2-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-4-carboximidamide?
The canonical SMILES for 2-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N(CCCOC)CCOC)c1.
What is the InChIKey of 2-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-4-carboximidamide?
The InChIKey is XILGDYYWSQXXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-18-8-3-6-17(7-9-19-2)12-10-11(13(14)15)4-5-16-12/h4-5,10H,3,6-9H2,1-2H3,(H3,14,15).
What are the key properties of 2-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-4-carboximidamide?
2-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-4-carboximidamide has a molecular weight of 266.34 g/mol, XLogP of 0.85, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl(3-methoxypropyl)amino]pyridine-4-carboximidamide is sourced from PubChem (CID 54985064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).