N-[amino(pyridin-2-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide;hydrochloride

C17H20ClN5O — CID 70531275

IUPACN-[amino(pyridin-2-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide;hydrochloride
SMILESCl.NC(=N/C(=N/c1ccccc1)N1CCOCC1)c1ccccn1
InChIInChI=1S/C17H19N5O.ClH/c18-16(15-8-4-5-9-19-15)21-17(22-10-12-23-13-11-22)20-14-6-2-1-3-7-14;/h1-9H,10-13H2,(H2,18,20,21);1H
InChIKeyBIJQPZCOPUQTBH-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.23
Rot. Bonds2

About N-[amino(pyridin-2-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide;hydrochloride

N-[amino(pyridin-2-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide;hydrochloride (PubChem CID 70531275) has the molecular formula C17H20ClN5O and a molecular weight of 345.83 g/mol. Its IUPAC name is N-[amino(pyridin-2-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide;hydrochloride.

Molecular Properties

Compound NameN-[amino(pyridin-2-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide;hydrochloride
PubChem CID70531275
Molecular FormulaC17H20ClN5O
Molecular Weight345.83 g/mol
Exact Mass345.14
IUPAC NameN-[amino(pyridin-2-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide;hydrochloride
SMILESCl.NC(=N/C(=N/c1ccccc1)N1CCOCC1)c1ccccn1
InChIInChI=1S/C17H19N5O.ClH/c18-16(15-8-4-5-9-19-15)21-17(22-10-12-23-13-11-22)20-14-6-2-1-3-7-14;/h1-9H,10-13H2,(H2,18,20,21);1H
InChIKeyBIJQPZCOPUQTBH-UHFFFAOYSA-N
XLogP2.23
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.23
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

N-[amino(naphthalen-1-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide
CID 70532858
N-[amino(phenyl)methylidene]-N'-(4-chlorophenyl)morpholine-4-carboximidamide
CID 70567672
(NZ)-N-[amino-(2-methoxyphenyl)methylidene]-N'-phenylmorpholine-4-carboximidamide
CID 23459640
CID 146162313
CID 146162313
(NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide;hydrochloride
CID 23459647
(NZ)-N-[amino(phenyl)methylidene]-N'-phenylthiomorpholine-4-carboximidamide;hydrochloride
CID 23459671
N-[1-(dimethylamino)propylidene]-N'-phenylmorpholine-4-carboximidamide
CID 54126746
N-[1-(dimethylamino)-2-phenylethylidene]-N'-phenylmorpholine-4-carboximidamide
CID 54319746
N'-aminopyridine-2-carboximidamide
CID 5464234
(NE)-N-[amino(phenyl)methylidene]-4-methyl-N'-phenylpiperazine-1-carboximidamide
CID 23459648
N-phenylmorpholine-4-carboximidoyl chloride
CID 9361718
4-morpholin-4-yl-N-phenylpyridine-2-carboximidoyl chloride;hydrochloride
CID 15561769

Frequently Asked Questions

What is the IUPAC name of N-[amino(pyridin-2-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide;hydrochloride?
The IUPAC name of N-[amino(pyridin-2-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide;hydrochloride (CID 70531275) is N-[amino(pyridin-2-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide;hydrochloride.
What is the SMILES notation for N-[amino(pyridin-2-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide;hydrochloride?
The canonical SMILES for N-[amino(pyridin-2-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide;hydrochloride is Cl.NC(=N/C(=N/c1ccccc1)N1CCOCC1)c1ccccn1.
What is the InChIKey of N-[amino(pyridin-2-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide;hydrochloride?
The InChIKey is BIJQPZCOPUQTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O.ClH/c18-16(15-8-4-5-9-19-15)21-17(22-10-12-23-13-11-22)20-14-6-2-1-3-7-14;/h1-9H,10-13H2,(H2,18,20,21);1H.
What are the key properties of N-[amino(pyridin-2-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide;hydrochloride?
N-[amino(pyridin-2-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide;hydrochloride has a molecular weight of 345.83 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(pyridin-2-yl)methylidene]-N'-phenylmorpholine-4-carboximidamide;hydrochloride is sourced from PubChem (CID 70531275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).