2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-pyridin-2-ylguanidine

C17H20ClN5O — CID 120679682

IUPAC2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-pyridin-2-ylguanidine
SMILESN/C(=N\Cc1cc(Cl)ccc1N1CCOCC1)Nc1ccccn1
InChIInChI=1S/C17H20ClN5O/c18-14-4-5-15(23-7-9-24-10-8-23)13(11-14)12-21-17(19)22-16-3-1-2-6-20-16/h1-6,11H,7-10,12H2,(H3,19,20,21,22)
InChIKeyXPRAIELHIJIPEI-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.50
Rot. Bonds4

About 2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-pyridin-2-ylguanidine

2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-pyridin-2-ylguanidine (PubChem CID 120679682) has the molecular formula C17H20ClN5O and a molecular weight of 345.83 g/mol. Its IUPAC name is 2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-pyridin-2-ylguanidine.

Molecular Properties

Compound Name2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-pyridin-2-ylguanidine
PubChem CID120679682
Molecular FormulaC17H20ClN5O
Molecular Weight345.83 g/mol
Exact Mass345.14
IUPAC Name2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-pyridin-2-ylguanidine
SMILESN/C(=N\Cc1cc(Cl)ccc1N1CCOCC1)Nc1ccccn1
InChIInChI=1S/C17H20ClN5O/c18-14-4-5-15(23-7-9-24-10-8-23)13(11-14)12-21-17(19)22-16-3-1-2-6-20-16/h1-6,11H,7-10,12H2,(H3,19,20,21,22)
InChIKeyXPRAIELHIJIPEI-UHFFFAOYSA-N
XLogP2.50
TPSA75.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-cyclopentylguanidine;hydroiodide
CID 120679689
2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-(cyclobutylmethyl)guanidine
CID 120679680
2-(2-morpholin-4-ylethyl)-1-pyridin-2-ylguanidine;hydroiodide
CID 119117134
2-[(1-morpholin-4-ylcyclopropyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120558132
1-tert-butyl-2-[(2-morpholin-4-ylphenyl)methyl]guanidine
CID 111063190
2-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1-pyridin-2-ylguanidine
CID 119118993
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine
CID 119120610
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119120609
1-tert-butyl-2-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
CID 111050854
4-[(5-chloro-2-morpholin-4-ylphenyl)methylamino]pyridine-2-carboxamide
CID 167918382
N-(5-chloro-2-morpholin-4-ylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 3536832
[5-chloro-2-(1,4-oxazepan-4-yl)phenyl]methanol
CID 114845567

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-pyridin-2-ylguanidine?
The IUPAC name of 2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-pyridin-2-ylguanidine (CID 120679682) is 2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-pyridin-2-ylguanidine.
What is the SMILES notation for 2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-pyridin-2-ylguanidine?
The canonical SMILES for 2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-pyridin-2-ylguanidine is N/C(=N\Cc1cc(Cl)ccc1N1CCOCC1)Nc1ccccn1.
What is the InChIKey of 2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-pyridin-2-ylguanidine?
The InChIKey is XPRAIELHIJIPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN5O/c18-14-4-5-15(23-7-9-24-10-8-23)13(11-14)12-21-17(19)22-16-3-1-2-6-20-16/h1-6,11H,7-10,12H2,(H3,19,20,21,22).
What are the key properties of 2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-pyridin-2-ylguanidine?
2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-pyridin-2-ylguanidine has a molecular weight of 345.83 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-pyridin-2-ylguanidine is sourced from PubChem (CID 120679682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).