2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide

C13H20N4O — CID 55226040

IUPAC2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(C)CC2CCCOC2)c1
InChIInChI=1S/C13H20N4O/c1-17(8-10-3-2-6-18-9-10)12-7-11(13(14)15)4-5-16-12/h4-5,7,10H,2-3,6,8-9H2,1H3,(H3,14,15)
InChIKeyCELXNQGPWIQSNC-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.23
Rot. Bonds4

About 2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide

2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide (PubChem CID 55226040) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide
PubChem CID55226040
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(C)CC2CCCOC2)c1
InChIInChI=1S/C13H20N4O/c1-17(8-10-3-2-6-18-9-10)12-7-11(13(14)15)4-5-16-12/h4-5,7,10H,2-3,6,8-9H2,1H3,(H3,14,15)
InChIKeyCELXNQGPWIQSNC-UHFFFAOYSA-N
XLogP1.23
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-[[methyl(oxan-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide
CID 63882050
2-[cyclobutylmethyl(ethyl)amino]pyridine-4-carboximidamide
CID 107399029
2-[methyl(propyl)amino]pyridine-4-carboximidamide
CID 43271318
2-[methyl(oxan-4-ylmethyl)amino]pyridine-4-carbothioamide
CID 63706028
2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide
CID 60891190
2-[cyclopropylmethyl(propan-2-yl)amino]pyridine-4-carboximidamide
CID 54999432
6-[cyclobutylmethyl(methyl)amino]pyridine-3-carboximidamide
CID 62860621
2-[methyl-(2-methylcyclohexyl)amino]pyridine-4-carboximidamide
CID 55004929
1,3-dimethyl-5-[methyl(oxan-3-ylmethyl)amino]pyrazole-4-carboximidamide
CID 63750874
2-[[methyl(oxan-3-ylmethyl)amino]methyl]benzenecarboximidamide
CID 63711689
4-[cyclobutylmethyl(methyl)amino]pyridine-2-carboximidamide
CID 62924606
N'-hydroxy-4-[methyl(oxan-3-ylmethyl)amino]benzenecarboximidamide
CID 76951558

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide?
The IUPAC name of 2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide (CID 55226040) is 2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide.
What is the SMILES notation for 2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide?
The canonical SMILES for 2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N(C)CC2CCCOC2)c1.
What is the InChIKey of 2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide?
The InChIKey is CELXNQGPWIQSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-17(8-10-3-2-6-18-9-10)12-7-11(13(14)15)4-5-16-12/h4-5,7,10H,2-3,6,8-9H2,1H3,(H3,14,15).
What are the key properties of 2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide?
2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide has a molecular weight of 248.33 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide is sourced from PubChem (CID 55226040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).