N'-(4-methylphenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide;hydroiodide

C18H23IN4O — CID 70512126

IUPACN'-(4-methylphenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide;hydroiodide
SMILESCc1ccc(/N=C(/N=c2ccccn2C)N2CCOCC2)cc1.I
InChIInChI=1S/C18H22N4O.HI/c1-15-6-8-16(9-7-15)19-18(22-11-13-23-14-12-22)20-17-5-3-4-10-21(17)2;/h3-10H,11-14H2,1-2H3;1H/b19-18-,20-17?;
InChIKeyFGBJADORPHYSBS-FRUCNONZSA-N
MW438.31 g/mol
LogP2.87
Rot. Bonds1

About N'-(4-methylphenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide;hydroiodide

N'-(4-methylphenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide;hydroiodide (PubChem CID 70512126) has the molecular formula C18H23IN4O and a molecular weight of 438.31 g/mol. Its IUPAC name is N'-(4-methylphenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(4-methylphenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide;hydroiodide
PubChem CID70512126
Molecular FormulaC18H23IN4O
Molecular Weight438.31 g/mol
Exact Mass438.09
IUPAC NameN'-(4-methylphenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide;hydroiodide
SMILESCc1ccc(/N=C(/N=c2ccccn2C)N2CCOCC2)cc1.I
InChIInChI=1S/C18H22N4O.HI/c1-15-6-8-16(9-7-15)19-18(22-11-13-23-14-12-22)20-17-5-3-4-10-21(17)2;/h3-10H,11-14H2,1-2H3;1H/b19-18-,20-17?;
InChIKeyFGBJADORPHYSBS-FRUCNONZSA-N
XLogP2.87
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-methylphenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-(4-methylphenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide;hydroiodide (CID 70512126) is N'-(4-methylphenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(4-methylphenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-(4-methylphenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide;hydroiodide is Cc1ccc(/N=C(/N=c2ccccn2C)N2CCOCC2)cc1.I.
What is the InChIKey of N'-(4-methylphenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide;hydroiodide?
The InChIKey is FGBJADORPHYSBS-FRUCNONZSA-N. The full InChI is InChI=1S/C18H22N4O.HI/c1-15-6-8-16(9-7-15)19-18(22-11-13-23-14-12-22)20-17-5-3-4-10-21(17)2;/h3-10H,11-14H2,1-2H3;1H/b19-18-,20-17?;.
What are the key properties of N'-(4-methylphenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide;hydroiodide?
N'-(4-methylphenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide;hydroiodide has a molecular weight of 438.31 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylphenyl)-N-(1-methyl-2-pyridinylidene)morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 70512126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).