1-(1H-indol-2-ylmethyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine

C17H19N5 — CID 110968674

IUPAC1-(1H-indol-2-ylmethyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine
SMILESC/N=C(\NCc1ccccn1)NCc1cc2ccccc2[nH]1
InChIInChI=1S/C17H19N5/c1-18-17(20-11-14-7-4-5-9-19-14)21-12-15-10-13-6-2-3-8-16(13)22-15/h2-10,22H,11-12H2,1H3,(H2,18,20,21)
InChIKeyHRTVJIHMWJVGBD-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.43
Rot. Bonds4

About 1-(1H-indol-2-ylmethyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine

1-(1H-indol-2-ylmethyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine (PubChem CID 110968674) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(1H-indol-2-ylmethyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(1H-indol-2-ylmethyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine
PubChem CID110968674
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name1-(1H-indol-2-ylmethyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine
SMILESC/N=C(\NCc1ccccn1)NCc1cc2ccccc2[nH]1
InChIInChI=1S/C17H19N5/c1-18-17(20-11-14-7-4-5-9-19-14)21-12-15-10-13-6-2-3-8-16(13)22-15/h2-10,22H,11-12H2,1H3,(H2,18,20,21)
InChIKeyHRTVJIHMWJVGBD-UHFFFAOYSA-N
XLogP2.43
TPSA65.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-(1H-indol-2-ylmethyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111192288
1-(1H-indol-2-ylmethyl)-2,3-dimethylguanidine
CID 47091801
1-(1H-indol-2-ylmethyl)-2-methyl-3-pentylguanidine
CID 111130538
1-(1H-indol-2-ylmethyl)-2-methyl-3-(2-phenylethyl)guanidine
CID 111136371
1-[(2-fluorophenyl)methyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide
CID 111265302
1-(1H-indol-2-ylmethyl)-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine
CID 111610242
1-(1H-indol-2-ylmethyl)-2-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 111421271
1-(1H-indol-2-ylmethyl)-3-(3-methoxypropyl)-2-methylguanidine
CID 110974245
1-[(3-fluorophenyl)methyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide
CID 111877154
1-(isoquinolin-1-ylmethyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110968725
1-(1H-indol-2-ylmethyl)-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111962373
1-amino-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 116510700

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-2-ylmethyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 1-(1H-indol-2-ylmethyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine (CID 110968674) is 1-(1H-indol-2-ylmethyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 1-(1H-indol-2-ylmethyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 1-(1H-indol-2-ylmethyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine is C/N=C(\NCc1ccccn1)NCc1cc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-indol-2-ylmethyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine?
The InChIKey is HRTVJIHMWJVGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-18-17(20-11-14-7-4-5-9-19-14)21-12-15-10-13-6-2-3-8-16(13)22-15/h2-10,22H,11-12H2,1H3,(H2,18,20,21).
What are the key properties of 1-(1H-indol-2-ylmethyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine?
1-(1H-indol-2-ylmethyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine has a molecular weight of 293.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-2-ylmethyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 110968674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).