1-(2-fluorophenyl)-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine

C16H17FN4 — CID 11243086

IUPAC1-(2-fluorophenyl)-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine
SMILESC=CCN/C(=N\Cc1cccnc1)Nc1ccccc1F
InChIInChI=1S/C16H17FN4/c1-2-9-19-16(20-12-13-6-5-10-18-11-13)21-15-8-4-3-7-14(15)17/h2-8,10-11H,1,9,12H2,(H2,19,20,21)
InChIKeyLSNLRNYXXPYPEP-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.96
Rot. Bonds5

About 1-(2-fluorophenyl)-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine

1-(2-fluorophenyl)-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine (PubChem CID 11243086) has the molecular formula C16H17FN4 and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine
PubChem CID11243086
Molecular FormulaC16H17FN4
Molecular Weight284.34 g/mol
Exact Mass284.14
IUPAC Name1-(2-fluorophenyl)-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine
SMILESC=CCN/C(=N\Cc1cccnc1)Nc1ccccc1F
InChIInChI=1S/C16H17FN4/c1-2-9-19-16(20-12-13-6-5-10-18-11-13)21-15-8-4-3-7-14(15)17/h2-8,10-11H,1,9,12H2,(H2,19,20,21)
InChIKeyLSNLRNYXXPYPEP-UHFFFAOYSA-N
XLogP2.96
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(3-methoxyphenyl)methyl]-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine
CID 75371572
1-(2-fluorophenyl)-3-(prop-2-enylcarbamothioylamino)thiourea
CID 8627871
N-prop-2-enyl-3-pyridin-3-ylpropanamide
CID 60667734
N-(pyridin-3-ylmethyl)prop-2-en-1-amine
CID 4717881
3-fluoro-N-[N-phenyl-N'-(pyridin-3-ylmethyl)carbamimidoyl]benzamide
CID 50818460
2-N-(2-fluorophenyl)-4-N-prop-2-enylpyridine-2,4-dicarboxamide
CID 109078904
3-(2-fluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023536
2-[[ethylamino-(prop-2-enylamino)methylidene]amino]-N-pyridin-3-ylacetamide
CID 110981371
3-fluoro-N-[N-(4-fluorophenyl)-N'-(pyridin-3-ylmethyl)carbamimidoyl]benzamide
CID 50817628
1-(4-aminobutyl)-3-cyano-2-(pyridin-3-ylmethyl)guanidine
CID 141141789
2-N-prop-2-enyl-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109094037
1-ethyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-prop-2-enylguanidine;hydroiodide
CID 110981310

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine?
The IUPAC name of 1-(2-fluorophenyl)-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine (CID 11243086) is 1-(2-fluorophenyl)-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine.
What is the SMILES notation for 1-(2-fluorophenyl)-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine?
The canonical SMILES for 1-(2-fluorophenyl)-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine is C=CCN/C(=N\Cc1cccnc1)Nc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine?
The InChIKey is LSNLRNYXXPYPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4/c1-2-9-19-16(20-12-13-6-5-10-18-11-13)21-15-8-4-3-7-14(15)17/h2-8,10-11H,1,9,12H2,(H2,19,20,21).
What are the key properties of 1-(2-fluorophenyl)-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine?
1-(2-fluorophenyl)-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine has a molecular weight of 284.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-prop-2-enyl-2-(pyridin-3-ylmethyl)guanidine is sourced from PubChem (CID 11243086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).