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

C18H22N4O2 — CID 75467048

IUPACN'-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-carboximidamide
SMILESN/C(=N\Cc1ccnc(OCc2ccccc2)c1)N1CCOCC1
InChIInChI=1S/C18H22N4O2/c19-18(22-8-10-23-11-9-22)21-13-16-6-7-20-17(12-16)24-14-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H2,19,21)
InChIKeySOMSDTCUINAFCU-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.81
Rot. Bonds5

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

N'-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-carboximidamide (PubChem CID 75467048) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N'-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-carboximidamide
PubChem CID75467048
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN'-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-carboximidamide
SMILESN/C(=N\Cc1ccnc(OCc2ccccc2)c1)N1CCOCC1
InChIInChI=1S/C18H22N4O2/c19-18(22-8-10-23-11-9-22)21-13-16-6-7-20-17(12-16)24-14-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H2,19,21)
InChIKeySOMSDTCUINAFCU-UHFFFAOYSA-N
XLogP1.81
TPSA72.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.81
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'}

Analyze N'-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(3-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide
CID 111047716
N'-[(2-cyclohexyloxy-4-pyridinyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111093946
N'-[[4-(phenylmethoxymethyl)phenyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111053620
N'-[(2-phenylmethoxyphenyl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 111073092
N'-[(2-piperidin-1-yl-4-pyridinyl)methyl]morpholine-4-carboximidamide
CID 111041191
N-ethyl-N'-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrrolidine-1-carboximidamide
CID 110955114
N-ethyl-N'-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110955113
N'-[(3-butoxyphenyl)methyl]morpholine-4-carboximidamide
CID 111049500
N-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-sulfonamide
CID 47064899
1-(4-ethylphenyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
CID 111050472
N'-[(3-phenylmethoxyphenyl)methyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111047747
1-(3-methylbutyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
CID 111050442

Frequently Asked Questions

What is the IUPAC name of N'-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-carboximidamide (CID 75467048) is N'-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-carboximidamide is N/C(=N\Cc1ccnc(OCc2ccccc2)c1)N1CCOCC1.
What is the InChIKey of N'-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-carboximidamide?
The InChIKey is SOMSDTCUINAFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c19-18(22-8-10-23-11-9-22)21-13-16-6-7-20-17(12-16)24-14-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H2,19,21).
What are the key properties of N'-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-carboximidamide?
N'-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-carboximidamide has a molecular weight of 326.40 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-phenylmethoxy-4-pyridinyl)methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 75467048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).