1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine

C17H28Cl2N6O — CID 110972073

IUPAC1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CCCN1CCOCC1)NCCNc1ncc(Cl)cc1Cl
InChIInChI=1S/C17H28Cl2N6O/c1-2-20-17(22-4-3-7-25-8-10-26-11-9-25)23-6-5-21-16-15(19)12-14(18)13-24-16/h12-13H,2-11H2,1H3,(H,21,24)(H2,20,22,23)
InChIKeyMNBQDVKXHLQICP-UHFFFAOYSA-N
MW403.36 g/mol
LogP2.08
Rot. Bonds9

About 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine

1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine (PubChem CID 110972073) has the molecular formula C17H28Cl2N6O and a molecular weight of 403.36 g/mol. Its IUPAC name is 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
PubChem CID110972073
Molecular FormulaC17H28Cl2N6O
Molecular Weight403.36 g/mol
Exact Mass402.17
IUPAC Name1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\CCCN1CCOCC1)NCCNc1ncc(Cl)cc1Cl
InChIInChI=1S/C17H28Cl2N6O/c1-2-20-17(22-4-3-7-25-8-10-26-11-9-25)23-6-5-21-16-15(19)12-14(18)13-24-16/h12-13H,2-11H2,1H3,(H,21,24)(H2,20,22,23)
InChIKeyMNBQDVKXHLQICP-UHFFFAOYSA-N
XLogP2.08
TPSA73.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.36
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 109472957
3,4-dichloro-N-[2-[[N-ethyl-N'-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]ethyl]benzamide
CID 110971701
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111929808
3-[[[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-(ethylamino)methylidene]amino]-N,N-diethylpropanamide;hydroiodide
CID 111942200
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-[2-[3-methoxypropyl(methyl)amino]ethyl]guanidine
CID 111651128
1-[2-(2-chlorophenyl)ethyl]-3-ethyl-2-(4-morpholin-4-ylbutyl)guanidine
CID 111883185
1-[2-(4-chlorophenyl)sulfanylethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
CID 110972667
2-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-1-ethyl-3-prop-2-ynylguanidine
CID 136922099
2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110972268
1-[2-(2,3-dichlorophenoxy)ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110971520
1-[2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine
CID 110971941
2-[3-(azepan-1-yl)propyl]-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111188192

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine (CID 110972073) is 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine is CCN/C(=N\CCCN1CCOCC1)NCCNc1ncc(Cl)cc1Cl.
What is the InChIKey of 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine?
The InChIKey is MNBQDVKXHLQICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28Cl2N6O/c1-2-20-17(22-4-3-7-25-8-10-26-11-9-25)23-6-5-21-16-15(19)12-14(18)13-24-16/h12-13H,2-11H2,1H3,(H,21,24)(H2,20,22,23).
What are the key properties of 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine?
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine has a molecular weight of 403.36 g/mol, XLogP of 2.08, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(3-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 110972073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).