2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide

C19H25IN4O2 — CID 111049997

IUPAC2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
SMILESCOc1ccccc1N/C(N)=N/Cc1ccc(OC2CCCC2)nc1.I
InChIInChI=1S/C19H24N4O2.HI/c1-24-17-9-5-4-8-16(17)23-19(20)22-13-14-10-11-18(21-12-14)25-15-6-2-3-7-15;/h4-5,8-12,15H,2-3,6-7,13H2,1H3,(H3,20,22,23);1H
InChIKeyGIOYFYJALGLVLH-UHFFFAOYSA-N
MW468.34 g/mol
LogP3.96
Rot. Bonds6

About 2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide

2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide (PubChem CID 111049997) has the molecular formula C19H25IN4O2 and a molecular weight of 468.34 g/mol. Its IUPAC name is 2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
PubChem CID111049997
Molecular FormulaC19H25IN4O2
Molecular Weight468.34 g/mol
Exact Mass468.10
IUPAC Name2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
SMILESCOc1ccccc1N/C(N)=N/Cc1ccc(OC2CCCC2)nc1.I
InChIInChI=1S/C19H24N4O2.HI/c1-24-17-9-5-4-8-16(17)23-19(20)22-13-14-10-11-18(21-12-14)25-15-6-2-3-7-15;/h4-5,8-12,15H,2-3,6-7,13H2,1H3,(H3,20,22,23);1H
InChIKeyGIOYFYJALGLVLH-UHFFFAOYSA-N
XLogP3.96
TPSA81.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.34
LogP ≤ 53.96
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111050019
1-tert-butyl-2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine
CID 111050020
2-[(2-cyclobutyloxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111816431
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]guanidine
CID 110916197
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(2,5-dimethoxyphenyl)guanidine;hydroiodide
CID 111049963
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111034020
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111809135
1-(2-methoxyphenyl)-2-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111047098
2-[[4-(azepan-1-ylmethyl)phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111087104
2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111803748
2-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine
CID 111809136
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111086592

Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide?
The IUPAC name of 2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide (CID 111049997) is 2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide is COc1ccccc1N/C(N)=N/Cc1ccc(OC2CCCC2)nc1.I.
What is the InChIKey of 2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide?
The InChIKey is GIOYFYJALGLVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2.HI/c1-24-17-9-5-4-8-16(17)23-19(20)22-13-14-10-11-18(21-12-14)25-15-6-2-3-7-15;/h4-5,8-12,15H,2-3,6-7,13H2,1H3,(H3,20,22,23);1H.
What are the key properties of 2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide?
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide has a molecular weight of 468.34 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111049997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).