1-(4-methylphenyl)-2,3-dipyridin-2-ylguanidine

C18H17N5 — CID 24939669

IUPAC1-(4-methylphenyl)-2,3-dipyridin-2-ylguanidine
SMILESCc1ccc(N/C(=N/c2ccccn2)Nc2ccccn2)cc1
InChIInChI=1S/C18H17N5/c1-14-8-10-15(11-9-14)21-18(22-16-6-2-4-12-19-16)23-17-7-3-5-13-20-17/h2-13H,1H3,(H2,19,20,21,22,23)
InChIKeyKCCBDZMUBOPAFT-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.00
Rot. Bonds3

About 1-(4-methylphenyl)-2,3-dipyridin-2-ylguanidine

1-(4-methylphenyl)-2,3-dipyridin-2-ylguanidine (PubChem CID 24939669) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2,3-dipyridin-2-ylguanidine.

Molecular Properties

Compound Name1-(4-methylphenyl)-2,3-dipyridin-2-ylguanidine
PubChem CID24939669
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name1-(4-methylphenyl)-2,3-dipyridin-2-ylguanidine
SMILESCc1ccc(N/C(=N/c2ccccn2)Nc2ccccn2)cc1
InChIInChI=1S/C18H17N5/c1-14-8-10-15(11-9-14)21-18(22-16-6-2-4-12-19-16)23-17-7-3-5-13-20-17/h2-13H,1H3,(H2,19,20,21,22,23)
InChIKeyKCCBDZMUBOPAFT-UHFFFAOYSA-N
XLogP4.00
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-methyl-N-[4-(pyridin-2-ylamino)sulfanylphenyl]benzamide
CID 145039707
N-(4-tert-butylphenyl)-N'-pyridin-2-yloxamide
CID 108525928
4-(4-methylphenyl)-4-oxo-N-pyridin-2-ylbutanamide
CID 35034572
(Z)-3-amino-N'-methyl-3-(4-methylphenyl)-N-pyridin-2-ylprop-2-enimidamide
CID 176658973
dicopper;bis(N-(4-methylphenyl)pyridin-2-amine);tetraacetate
CID 139082295
methyl (1E)-N-pyridin-2-ylethanimidate
CID 14952135
N'-(2,5-dimethylphenyl)-N-pyridin-2-yloxamide
CID 44999307
N-(4-methylphenyl)-2-(pyridin-2-yldiazenyl)aniline
CID 15443301
methyl 4-[[2-oxo-2-(pyridin-2-ylamino)acetyl]amino]benzoate
CID 108525910
4-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 53257044
dichloromanganese;bis(N-(4-methylphenyl)pyridine-2-carboxamide)
CID 11455628
2-(4-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 868286

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2,3-dipyridin-2-ylguanidine?
The IUPAC name of 1-(4-methylphenyl)-2,3-dipyridin-2-ylguanidine (CID 24939669) is 1-(4-methylphenyl)-2,3-dipyridin-2-ylguanidine.
What is the SMILES notation for 1-(4-methylphenyl)-2,3-dipyridin-2-ylguanidine?
The canonical SMILES for 1-(4-methylphenyl)-2,3-dipyridin-2-ylguanidine is Cc1ccc(N/C(=N/c2ccccn2)Nc2ccccn2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2,3-dipyridin-2-ylguanidine?
The InChIKey is KCCBDZMUBOPAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-14-8-10-15(11-9-14)21-18(22-16-6-2-4-12-19-16)23-17-7-3-5-13-20-17/h2-13H,1H3,(H2,19,20,21,22,23).
What are the key properties of 1-(4-methylphenyl)-2,3-dipyridin-2-ylguanidine?
1-(4-methylphenyl)-2,3-dipyridin-2-ylguanidine has a molecular weight of 303.37 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2,3-dipyridin-2-ylguanidine is sourced from PubChem (CID 24939669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).