2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(4-fluorophenyl)guanidine

C19H22F2N4 — CID 139338330

IUPAC2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(4-fluorophenyl)guanidine
SMILESCc1nccc(C2CCC(/N=C(\N)Nc3ccc(F)cc3)CC2)c1F
InChIInChI=1S/C19H22F2N4/c1-12-18(21)17(10-11-23-12)13-2-6-15(7-3-13)24-19(22)25-16-8-4-14(20)5-9-16/h4-5,8-11,13,15H,2-3,6-7H2,1H3,(H3,22,24,25)
InChIKeyUPHIFCRJNDHING-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.12
Rot. Bonds3

About 2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(4-fluorophenyl)guanidine

2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(4-fluorophenyl)guanidine (PubChem CID 139338330) has the molecular formula C19H22F2N4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(4-fluorophenyl)guanidine.

Molecular Properties

Compound Name2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(4-fluorophenyl)guanidine
PubChem CID139338330
Molecular FormulaC19H22F2N4
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC Name2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(4-fluorophenyl)guanidine
SMILESCc1nccc(C2CCC(/N=C(\N)Nc3ccc(F)cc3)CC2)c1F
InChIInChI=1S/C19H22F2N4/c1-12-18(21)17(10-11-23-12)13-2-6-15(7-3-13)24-19(22)25-16-8-4-14(20)5-9-16/h4-5,8-11,13,15H,2-3,6-7H2,1H3,(H3,22,24,25)
InChIKeyUPHIFCRJNDHING-UHFFFAOYSA-N
XLogP4.12
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.12
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(4-fluorophenyl)guanidine?
The IUPAC name of 2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(4-fluorophenyl)guanidine (CID 139338330) is 2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(4-fluorophenyl)guanidine.
What is the SMILES notation for 2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(4-fluorophenyl)guanidine?
The canonical SMILES for 2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(4-fluorophenyl)guanidine is Cc1nccc(C2CCC(/N=C(\N)Nc3ccc(F)cc3)CC2)c1F.
What is the InChIKey of 2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(4-fluorophenyl)guanidine?
The InChIKey is UPHIFCRJNDHING-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N4/c1-12-18(21)17(10-11-23-12)13-2-6-15(7-3-13)24-19(22)25-16-8-4-14(20)5-9-16/h4-5,8-11,13,15H,2-3,6-7H2,1H3,(H3,22,24,25).
What are the key properties of 2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(4-fluorophenyl)guanidine?
2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(4-fluorophenyl)guanidine has a molecular weight of 344.41 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(4-fluorophenyl)guanidine is sourced from PubChem (CID 139338330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).