N'-[(3-methyl-2-pyridinyl)methyl]morpholine-4-carboximidamide

C12H18N4O — CID 111802374

IUPACN'-[(3-methyl-2-pyridinyl)methyl]morpholine-4-carboximidamide
SMILESCc1cccnc1C/N=C(\N)N1CCOCC1
InChIInChI=1S/C12H18N4O/c1-10-3-2-4-14-11(10)9-15-12(13)16-5-7-17-8-6-16/h2-4H,5-9H2,1H3,(H2,13,15)
InChIKeyBZJSCNDQEGGKEF-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.54
Rot. Bonds2

About N'-[(3-methyl-2-pyridinyl)methyl]morpholine-4-carboximidamide

N'-[(3-methyl-2-pyridinyl)methyl]morpholine-4-carboximidamide (PubChem CID 111802374) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N'-[(3-methyl-2-pyridinyl)methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(3-methyl-2-pyridinyl)methyl]morpholine-4-carboximidamide
PubChem CID111802374
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN'-[(3-methyl-2-pyridinyl)methyl]morpholine-4-carboximidamide
SMILESCc1cccnc1C/N=C(\N)N1CCOCC1
InChIInChI=1S/C12H18N4O/c1-10-3-2-4-14-11(10)9-15-12(13)16-5-7-17-8-6-16/h2-4H,5-9H2,1H3,(H2,13,15)
InChIKeyBZJSCNDQEGGKEF-UHFFFAOYSA-N
XLogP0.54
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-fluorophenyl)-N'-[(3-methyl-2-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111802431
N'-[(2-methylpyrimidin-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119119928
N'-[[2-(2-methylphenoxy)phenyl]methyl]morpholine-4-carboximidamide
CID 111805322
N'-[2-(2-methylphenoxy)ethyl]morpholine-4-carboximidamide
CID 111076297
N'-[(2-imidazol-1-yl-3-pyridinyl)methyl]morpholine-4-carboximidamide
CID 119118525
N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide
CID 111050910
N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119119988
N'-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]morpholine-4-carboximidamide
CID 111813984
N'-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111100700
N'-[(1-methylpyrrol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 119146669
N'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077296
N'-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-4-carboximidamide
CID 120913510

Frequently Asked Questions

What is the IUPAC name of N'-[(3-methyl-2-pyridinyl)methyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[(3-methyl-2-pyridinyl)methyl]morpholine-4-carboximidamide (CID 111802374) is N'-[(3-methyl-2-pyridinyl)methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[(3-methyl-2-pyridinyl)methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[(3-methyl-2-pyridinyl)methyl]morpholine-4-carboximidamide is Cc1cccnc1C/N=C(\N)N1CCOCC1.
What is the InChIKey of N'-[(3-methyl-2-pyridinyl)methyl]morpholine-4-carboximidamide?
The InChIKey is BZJSCNDQEGGKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-10-3-2-4-14-11(10)9-15-12(13)16-5-7-17-8-6-16/h2-4H,5-9H2,1H3,(H2,13,15).
What are the key properties of N'-[(3-methyl-2-pyridinyl)methyl]morpholine-4-carboximidamide?
N'-[(3-methyl-2-pyridinyl)methyl]morpholine-4-carboximidamide has a molecular weight of 234.30 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methyl-2-pyridinyl)methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 111802374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).