1-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]-4-pyrrolidin-1-ylbutan-2-imine

C20H24FN3 — CID 123228524

IUPAC1-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]-4-pyrrolidin-1-ylbutan-2-imine
SMILES[H]/N=C(\CCN1CCCC1)CN1C=C(c2ccc(F)cc2)C=CC1=C
InChIInChI=1S/C20H24FN3/c1-16-4-5-18(17-6-8-19(21)9-7-17)14-24(16)15-20(22)10-13-23-11-2-3-12-23/h4-9,14,22H,1-3,10-13,15H2/b22-20+
InChIKeyJJDCXHUHUAFKQA-LSDHQDQOSA-N
MW325.43 g/mol
LogP4.06
Rot. Bonds6

About 1-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]-4-pyrrolidin-1-ylbutan-2-imine

1-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]-4-pyrrolidin-1-ylbutan-2-imine (PubChem CID 123228524) has the molecular formula C20H24FN3 and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]-4-pyrrolidin-1-ylbutan-2-imine.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]-4-pyrrolidin-1-ylbutan-2-imine
PubChem CID123228524
Molecular FormulaC20H24FN3
Molecular Weight325.43 g/mol
Exact Mass325.20
IUPAC Name1-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]-4-pyrrolidin-1-ylbutan-2-imine
SMILES[H]/N=C(\CCN1CCCC1)CN1C=C(c2ccc(F)cc2)C=CC1=C
InChIInChI=1S/C20H24FN3/c1-16-4-5-18(17-6-8-19(21)9-7-17)14-24(16)15-20(22)10-13-23-11-2-3-12-23/h4-9,14,22H,1-3,10-13,15H2/b22-20+
InChIKeyJJDCXHUHUAFKQA-LSDHQDQOSA-N
XLogP4.06
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]-4-pyrrolidin-1-ylbutan-2-imine?
The IUPAC name of 1-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]-4-pyrrolidin-1-ylbutan-2-imine (CID 123228524) is 1-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]-4-pyrrolidin-1-ylbutan-2-imine.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]-4-pyrrolidin-1-ylbutan-2-imine?
The canonical SMILES for 1-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]-4-pyrrolidin-1-ylbutan-2-imine is [H]/N=C(\CCN1CCCC1)CN1C=C(c2ccc(F)cc2)C=CC1=C.
What is the InChIKey of 1-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]-4-pyrrolidin-1-ylbutan-2-imine?
The InChIKey is JJDCXHUHUAFKQA-LSDHQDQOSA-N. The full InChI is InChI=1S/C20H24FN3/c1-16-4-5-18(17-6-8-19(21)9-7-17)14-24(16)15-20(22)10-13-23-11-2-3-12-23/h4-9,14,22H,1-3,10-13,15H2/b22-20+.
What are the key properties of 1-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]-4-pyrrolidin-1-ylbutan-2-imine?
1-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]-4-pyrrolidin-1-ylbutan-2-imine has a molecular weight of 325.43 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]-4-pyrrolidin-1-ylbutan-2-imine is sourced from PubChem (CID 123228524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).