1,2,3-tris(2-pyridin-2-ylethyl)guanidine

C22H26N6 — CID 102500512

IUPAC1,2,3-tris(2-pyridin-2-ylethyl)guanidine
SMILESc1ccc(CCN=C(NCCc2ccccn2)NCCc2ccccn2)nc1
InChIInChI=1S/C22H26N6/c1-4-13-23-19(7-1)10-16-26-22(27-17-11-20-8-2-5-14-24-20)28-18-12-21-9-3-6-15-25-21/h1-9,13-15H,10-12,16-18H2,(H2,26,27,28)
InChIKeyNEQBXPKMJWBVFB-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.43
Rot. Bonds9

About 1,2,3-tris(2-pyridin-2-ylethyl)guanidine

1,2,3-tris(2-pyridin-2-ylethyl)guanidine (PubChem CID 102500512) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1,2,3-tris(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

Compound Name1,2,3-tris(2-pyridin-2-ylethyl)guanidine
PubChem CID102500512
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name1,2,3-tris(2-pyridin-2-ylethyl)guanidine
SMILESc1ccc(CCN=C(NCCc2ccccn2)NCCc2ccccn2)nc1
InChIInChI=1S/C22H26N6/c1-4-13-23-19(7-1)10-16-26-22(27-17-11-20-8-2-5-14-24-20)28-18-12-21-9-3-6-15-25-21/h1-9,13-15H,10-12,16-18H2,(H2,26,27,28)
InChIKeyNEQBXPKMJWBVFB-UHFFFAOYSA-N
XLogP2.43
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.43
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

1-ethyl-2,3-bis(2-pyridin-2-ylethyl)guanidine
CID 111191182
1,3-diethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 86777068
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
CID 111194200
1-ethyl-2-(3-phenylpropyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111194136
N-[2-[[N-ethyl-N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111191360
2-[2-(furan-2-yl)ethyl]-1-(2-phenylethyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111134399
1-ethyl-3-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine
CID 111835823
1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 111194704
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111169429
1-[2-(2,4-difluorophenyl)ethyl]-3-ethyl-2-(2-pyridin-2-ylethyl)guanidine
CID 111782038
1-ethyl-2-(2-phenylmethoxyethyl)-3-(2-pyridin-2-ylethyl)guanidine
CID 111964361
1-ethyl-3-[2-(4-methylsulfonylphenyl)ethyl]-2-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111613015

Frequently Asked Questions

What is the IUPAC name of 1,2,3-tris(2-pyridin-2-ylethyl)guanidine?
The IUPAC name of 1,2,3-tris(2-pyridin-2-ylethyl)guanidine (CID 102500512) is 1,2,3-tris(2-pyridin-2-ylethyl)guanidine.
What is the SMILES notation for 1,2,3-tris(2-pyridin-2-ylethyl)guanidine?
The canonical SMILES for 1,2,3-tris(2-pyridin-2-ylethyl)guanidine is c1ccc(CCN=C(NCCc2ccccn2)NCCc2ccccn2)nc1.
What is the InChIKey of 1,2,3-tris(2-pyridin-2-ylethyl)guanidine?
The InChIKey is NEQBXPKMJWBVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6/c1-4-13-23-19(7-1)10-16-26-22(27-17-11-20-8-2-5-14-24-20)28-18-12-21-9-3-6-15-25-21/h1-9,13-15H,10-12,16-18H2,(H2,26,27,28).
What are the key properties of 1,2,3-tris(2-pyridin-2-ylethyl)guanidine?
1,2,3-tris(2-pyridin-2-ylethyl)guanidine has a molecular weight of 374.49 g/mol, XLogP of 2.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tris(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 102500512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).