N'-[(2-imidazol-1-yl-3-pyridinyl)methyl]morpholine-4-carboximidamide

C14H18N6O — CID 119118525

IUPACN'-[(2-imidazol-1-yl-3-pyridinyl)methyl]morpholine-4-carboximidamide
SMILESN/C(=N\Cc1cccnc1-n1ccnc1)N1CCOCC1
InChIInChI=1S/C14H18N6O/c15-14(19-6-8-21-9-7-19)18-10-12-2-1-3-17-13(12)20-5-4-16-11-20/h1-5,11H,6-10H2,(H2,15,18)
InChIKeyBGVOPBYDYOMYRV-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.41
Rot. Bonds3

About N'-[(2-imidazol-1-yl-3-pyridinyl)methyl]morpholine-4-carboximidamide

N'-[(2-imidazol-1-yl-3-pyridinyl)methyl]morpholine-4-carboximidamide (PubChem CID 119118525) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is N'-[(2-imidazol-1-yl-3-pyridinyl)methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(2-imidazol-1-yl-3-pyridinyl)methyl]morpholine-4-carboximidamide
PubChem CID119118525
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC NameN'-[(2-imidazol-1-yl-3-pyridinyl)methyl]morpholine-4-carboximidamide
SMILESN/C(=N\Cc1cccnc1-n1ccnc1)N1CCOCC1
InChIInChI=1S/C14H18N6O/c15-14(19-6-8-21-9-7-19)18-10-12-2-1-3-17-13(12)20-5-4-16-11-20/h1-5,11H,6-10H2,(H2,15,18)
InChIKeyBGVOPBYDYOMYRV-UHFFFAOYSA-N
XLogP0.41
TPSA81.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'-[(2-imidazol-1-yl-3-pyridinyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119118543
N'-[(2-morpholin-4-yl-3-pyridinyl)methyl]thiomorpholine-4-carboximidamide
CID 111050910
1-cyclopropyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 119118530
N-ethyl-N'-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119142716
N'-[(2-imidazol-1-ylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119119768
N'-[(3-methyl-2-pyridinyl)methyl]morpholine-4-carboximidamide
CID 111802374
N'-[[2-(hydroxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111077296
1-tert-butyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
CID 111050854
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119142670
N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]morpholine-4-carboximidamide
CID 111053453
1-ethyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-prop-2-ynylguanidine
CID 119149052
1-tert-butyl-3-ethyl-2-[(2-imidazol-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 119116062

Frequently Asked Questions

What is the IUPAC name of N'-[(2-imidazol-1-yl-3-pyridinyl)methyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[(2-imidazol-1-yl-3-pyridinyl)methyl]morpholine-4-carboximidamide (CID 119118525) is N'-[(2-imidazol-1-yl-3-pyridinyl)methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[(2-imidazol-1-yl-3-pyridinyl)methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[(2-imidazol-1-yl-3-pyridinyl)methyl]morpholine-4-carboximidamide is N/C(=N\Cc1cccnc1-n1ccnc1)N1CCOCC1.
What is the InChIKey of N'-[(2-imidazol-1-yl-3-pyridinyl)methyl]morpholine-4-carboximidamide?
The InChIKey is BGVOPBYDYOMYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c15-14(19-6-8-21-9-7-19)18-10-12-2-1-3-17-13(12)20-5-4-16-11-20/h1-5,11H,6-10H2,(H2,15,18).
What are the key properties of N'-[(2-imidazol-1-yl-3-pyridinyl)methyl]morpholine-4-carboximidamide?
N'-[(2-imidazol-1-yl-3-pyridinyl)methyl]morpholine-4-carboximidamide has a molecular weight of 286.34 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-imidazol-1-yl-3-pyridinyl)methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 119118525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).