N'-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylmorpholine-4-carboximidamide

C14H22N4O2 — CID 120662286

IUPACN'-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylmorpholine-4-carboximidamide
SMILESCc1ccc(C/N=C(\N)N2CCOC(C)C2)c(=O)n1C
InChIInChI=1S/C14H22N4O2/c1-10-4-5-12(13(19)17(10)3)8-16-14(15)18-6-7-20-11(2)9-18/h4-5,11H,6-9H2,1-3H3,(H2,15,16)
InChIKeyAHWWBFBEBZKUCG-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.23
Rot. Bonds2

About N'-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylmorpholine-4-carboximidamide

N'-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylmorpholine-4-carboximidamide (PubChem CID 120662286) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N'-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylmorpholine-4-carboximidamide
PubChem CID120662286
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN'-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylmorpholine-4-carboximidamide
SMILESCc1ccc(C/N=C(\N)N2CCOC(C)C2)c(=O)n1C
InChIInChI=1S/C14H22N4O2/c1-10-4-5-12(13(19)17(10)3)8-16-14(15)18-6-7-20-11(2)9-18/h4-5,11H,6-9H2,1-3H3,(H2,15,16)
InChIKeyAHWWBFBEBZKUCG-UHFFFAOYSA-N
XLogP0.23
TPSA72.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.23
H-Bond Donors ≤ 51
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

N'-[[4-fluoro-2-(methylsulfanylmethyl)phenyl]methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661827
2-methyl-N'-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661263
2-methyl-N'-[(5-methylsulfonylthiophen-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120662205
2-methyl-N'-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]morpholine-4-carboximidamide
CID 120661926
2-methyl-N'-[2-(2-methylphenyl)ethyl]morpholine-4-carboximidamide
CID 166222802
N'-[(3-bromothiophen-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661477
2-methyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661149
2-methyl-N'-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661795
N'-[(2,3-dimethyl-1H-indol-5-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661423
2-methyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]morpholine-4-carboximidamide
CID 120661374
N'-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide
CID 120662146
2-methyl-N'-[(4-phenyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661279

Frequently Asked Questions

What is the IUPAC name of N'-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylmorpholine-4-carboximidamide (CID 120662286) is N'-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylmorpholine-4-carboximidamide is Cc1ccc(C/N=C(\N)N2CCOC(C)C2)c(=O)n1C.
What is the InChIKey of N'-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylmorpholine-4-carboximidamide?
The InChIKey is AHWWBFBEBZKUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-4-5-12(13(19)17(10)3)8-16-14(15)18-6-7-20-11(2)9-18/h4-5,11H,6-9H2,1-3H3,(H2,15,16).
What are the key properties of N'-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylmorpholine-4-carboximidamide?
N'-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylmorpholine-4-carboximidamide has a molecular weight of 278.36 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 120662286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).