2-[N'-[2-(2-fluoro-7H-cyclopenta[b]pyridin-5-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine

C14H19FN6 — CID 159763293

IUPAC2-[N'-[2-(2-fluoro-7H-cyclopenta[b]pyridin-5-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine
SMILESCN(C)C(N)=N/C(N)=N/CCC1=CCc2nc(F)ccc21
InChIInChI=1S/C14H19FN6/c1-21(2)14(17)20-13(16)18-8-7-9-3-5-11-10(9)4-6-12(15)19-11/h3-4,6H,5,7-8H2,1-2H3,(H4,16,17,18,20)
InChIKeyNFEFMRAIFOYLLT-UHFFFAOYSA-N
MW290.35 g/mol
LogP0.74
Rot. Bonds3

About 2-[N'-[2-(2-fluoro-7H-cyclopenta[b]pyridin-5-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine

2-[N'-[2-(2-fluoro-7H-cyclopenta[b]pyridin-5-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine (PubChem CID 159763293) has the molecular formula C14H19FN6 and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-[N'-[2-(2-fluoro-7H-cyclopenta[b]pyridin-5-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-[N'-[2-(2-fluoro-7H-cyclopenta[b]pyridin-5-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine
PubChem CID159763293
Molecular FormulaC14H19FN6
Molecular Weight290.35 g/mol
Exact Mass290.17
IUPAC Name2-[N'-[2-(2-fluoro-7H-cyclopenta[b]pyridin-5-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine
SMILESCN(C)C(N)=N/C(N)=N/CCC1=CCc2nc(F)ccc21
InChIInChI=1S/C14H19FN6/c1-21(2)14(17)20-13(16)18-8-7-9-3-5-11-10(9)4-6-12(15)19-11/h3-4,6H,5,7-8H2,1-2H3,(H4,16,17,18,20)
InChIKeyNFEFMRAIFOYLLT-UHFFFAOYSA-N
XLogP0.74
TPSA92.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[N'-[2-(2-fluoro-7H-cyclopenta[b]pyridin-5-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine?
The IUPAC name of 2-[N'-[2-(2-fluoro-7H-cyclopenta[b]pyridin-5-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine (CID 159763293) is 2-[N'-[2-(2-fluoro-7H-cyclopenta[b]pyridin-5-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine.
What is the SMILES notation for 2-[N'-[2-(2-fluoro-7H-cyclopenta[b]pyridin-5-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine?
The canonical SMILES for 2-[N'-[2-(2-fluoro-7H-cyclopenta[b]pyridin-5-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine is CN(C)C(N)=N/C(N)=N/CCC1=CCc2nc(F)ccc21.
What is the InChIKey of 2-[N'-[2-(2-fluoro-7H-cyclopenta[b]pyridin-5-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine?
The InChIKey is NFEFMRAIFOYLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN6/c1-21(2)14(17)20-13(16)18-8-7-9-3-5-11-10(9)4-6-12(15)19-11/h3-4,6H,5,7-8H2,1-2H3,(H4,16,17,18,20).
What are the key properties of 2-[N'-[2-(2-fluoro-7H-cyclopenta[b]pyridin-5-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine?
2-[N'-[2-(2-fluoro-7H-cyclopenta[b]pyridin-5-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine has a molecular weight of 290.35 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N'-[2-(2-fluoro-7H-cyclopenta[b]pyridin-5-yl)ethyl]carbamimidoyl]-1,1-dimethylguanidine is sourced from PubChem (CID 159763293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).