1-ethyl-2-[(6-propoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide

C18H26IN5O — CID 111547538

IUPAC1-ethyl-2-[(6-propoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
SMILESCCCOc1ccc(C/N=C(\NCC)NCc2ccccn2)cn1.I
InChIInChI=1S/C18H25N5O.HI/c1-3-11-24-17-9-8-15(12-21-17)13-22-18(19-4-2)23-14-16-7-5-6-10-20-16;/h5-10,12H,3-4,11,13-14H2,1-2H3,(H2,19,22,23);1H
InChIKeyWNQGZTUINCYWNY-UHFFFAOYSA-N
MW455.34 g/mol
LogP3.14
Rot. Bonds8

About 1-ethyl-2-[(6-propoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide

1-ethyl-2-[(6-propoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide (PubChem CID 111547538) has the molecular formula C18H26IN5O and a molecular weight of 455.34 g/mol. Its IUPAC name is 1-ethyl-2-[(6-propoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-[(6-propoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
PubChem CID111547538
Molecular FormulaC18H26IN5O
Molecular Weight455.34 g/mol
Exact Mass455.12
IUPAC Name1-ethyl-2-[(6-propoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
SMILESCCCOc1ccc(C/N=C(\NCC)NCc2ccccn2)cn1.I
InChIInChI=1S/C18H25N5O.HI/c1-3-11-24-17-9-8-15(12-21-17)13-22-18(19-4-2)23-14-16-7-5-6-10-20-16;/h5-10,12H,3-4,11,13-14H2,1-2H3,(H2,19,22,23);1H
InChIKeyWNQGZTUINCYWNY-UHFFFAOYSA-N
XLogP3.14
TPSA71.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.34
LogP ≤ 53.14
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-ethyl-2-[(3-methoxy-4-propoxyphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110967573
2-[[6-(diethylamino)-3-pyridinyl]methyl]-1-ethyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110967537
1-ethyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]-3-(2-pyridin-2-ylethyl)guanidine
CID 111193274
2-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]-1-ethyl-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111192781
1-ethyl-3-(3-methylbutyl)-2-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111548249
2-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]-1-ethyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970690
1-ethyl-2-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110967529
methyl N-[4-[[[ethylamino-(pyridin-2-ylmethylamino)methylidene]amino]methyl]phenyl]carbamate;hydroiodide
CID 110970080
1-ethyl-2-[(3-fluoro-4-hydroxyphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111790351
2-[(3-ethoxyphenyl)methyl]-1-ethyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110967561
1-ethyl-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970638
4-[[[ethylamino-(pyridin-2-ylmethylamino)methylidene]amino]methyl]benzamide
CID 110969558

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(6-propoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-[(6-propoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide (CID 111547538) is 1-ethyl-2-[(6-propoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-[(6-propoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-[(6-propoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide is CCCOc1ccc(C/N=C(\NCC)NCc2ccccn2)cn1.I.
What is the InChIKey of 1-ethyl-2-[(6-propoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is WNQGZTUINCYWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O.HI/c1-3-11-24-17-9-8-15(12-21-17)13-22-18(19-4-2)23-14-16-7-5-6-10-20-16;/h5-10,12H,3-4,11,13-14H2,1-2H3,(H2,19,22,23);1H.
What are the key properties of 1-ethyl-2-[(6-propoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide?
1-ethyl-2-[(6-propoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 455.34 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(6-propoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 111547538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).