1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine

C16H20Cl2N6 — CID 110969026

IUPAC1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccccn1)NCCNc1ncc(Cl)cc1Cl
InChIInChI=1S/C16H20Cl2N6/c1-2-19-16(24-11-13-5-3-4-6-20-13)22-8-7-21-15-14(18)9-12(17)10-23-15/h3-6,9-10H,2,7-8,11H2,1H3,(H,21,23)(H2,19,22,24)
InChIKeyGQIUZELVYOCBSU-UHFFFAOYSA-N
MW367.28 g/mol
LogP2.95
Rot. Bonds7

About 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine

1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine (PubChem CID 110969026) has the molecular formula C16H20Cl2N6 and a molecular weight of 367.28 g/mol. Its IUPAC name is 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
PubChem CID110969026
Molecular FormulaC16H20Cl2N6
Molecular Weight367.28 g/mol
Exact Mass366.11
IUPAC Name1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccccn1)NCCNc1ncc(Cl)cc1Cl
InChIInChI=1S/C16H20Cl2N6/c1-2-19-16(24-11-13-5-3-4-6-20-13)22-8-7-21-15-14(18)9-12(17)10-23-15/h3-6,9-10H,2,7-8,11H2,1H3,(H,21,23)(H2,19,22,24)
InChIKeyGQIUZELVYOCBSU-UHFFFAOYSA-N
XLogP2.95
TPSA74.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110969024
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111191174
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969023
1-ethyl-3-propyl-2-(pyridin-2-ylmethyl)guanidine
CID 110969500
1-[2-(3-chlorophenyl)ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 110970323
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine
CID 109472957
1-ethyl-3-[4-(pyridin-2-ylamino)butyl]-2-(pyridin-2-ylmethyl)guanidine
CID 110970205
3-[[[2-[(3,5-dichloro-2-pyridinyl)amino]ethylamino]-(ethylamino)methylidene]amino]-N,N-diethylpropanamide;hydroiodide
CID 111942200
1-[2-(2,6-dichlorophenyl)propyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 110970221
1-[2-(2-chlorophenyl)-2-methylpropyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970542
2-[(2,4-dichlorophenyl)methyl]-1-ethyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110969467
1-ethyl-3-[2-(2-nitroanilino)ethyl]-2-(pyridin-2-ylmethyl)guanidine
CID 110968758

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine (CID 110969026) is 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine is CCN/C(=N\Cc1ccccn1)NCCNc1ncc(Cl)cc1Cl.
What is the InChIKey of 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine?
The InChIKey is GQIUZELVYOCBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N6/c1-2-19-16(24-11-13-5-3-4-6-20-13)22-8-7-21-15-14(18)9-12(17)10-23-15/h3-6,9-10H,2,7-8,11H2,1H3,(H,21,23)(H2,19,22,24).
What are the key properties of 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine?
1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine has a molecular weight of 367.28 g/mol, XLogP of 2.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 110969026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).