N-ethyl-1-[5-(2-fluoro-3-propylphenyl)-2-pyridinyl]azetidin-3-imine

C19H22FN3 — CID 134591517

IUPACN-ethyl-1-[5-(2-fluoro-3-propylphenyl)-2-pyridinyl]azetidin-3-imine
SMILESCCCc1cccc(-c2ccc(N3CC(=NCC)C3)nc2)c1F
InChIInChI=1S/C19H22FN3/c1-3-6-14-7-5-8-17(19(14)20)15-9-10-18(22-11-15)23-12-16(13-23)21-4-2/h5,7-11H,3-4,6,12-13H2,1-2H3
InChIKeyGVCFJUSSSZCJOC-UHFFFAOYSA-N
MW311.40 g/mol
LogP4.12
Rot. Bonds5

About N-ethyl-1-[5-(2-fluoro-3-propylphenyl)-2-pyridinyl]azetidin-3-imine

N-ethyl-1-[5-(2-fluoro-3-propylphenyl)-2-pyridinyl]azetidin-3-imine (PubChem CID 134591517) has the molecular formula C19H22FN3 and a molecular weight of 311.40 g/mol. Its IUPAC name is N-ethyl-1-[5-(2-fluoro-3-propylphenyl)-2-pyridinyl]azetidin-3-imine.

Molecular Properties

Compound NameN-ethyl-1-[5-(2-fluoro-3-propylphenyl)-2-pyridinyl]azetidin-3-imine
PubChem CID134591517
Molecular FormulaC19H22FN3
Molecular Weight311.40 g/mol
Exact Mass311.18
IUPAC NameN-ethyl-1-[5-(2-fluoro-3-propylphenyl)-2-pyridinyl]azetidin-3-imine
SMILESCCCc1cccc(-c2ccc(N3CC(=NCC)C3)nc2)c1F
InChIInChI=1S/C19H22FN3/c1-3-6-14-7-5-8-17(19(14)20)15-9-10-18(22-11-15)23-12-16(13-23)21-4-2/h5,7-11H,3-4,6,12-13H2,1-2H3
InChIKeyGVCFJUSSSZCJOC-UHFFFAOYSA-N
XLogP4.12
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 54.12
H-Bond Donors ≤ 50
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 N-ethyl-1-[5-(2-fluoro-3-propylphenyl)-2-pyridinyl]azetidin-3-imine?
The IUPAC name of N-ethyl-1-[5-(2-fluoro-3-propylphenyl)-2-pyridinyl]azetidin-3-imine (CID 134591517) is N-ethyl-1-[5-(2-fluoro-3-propylphenyl)-2-pyridinyl]azetidin-3-imine.
What is the SMILES notation for N-ethyl-1-[5-(2-fluoro-3-propylphenyl)-2-pyridinyl]azetidin-3-imine?
The canonical SMILES for N-ethyl-1-[5-(2-fluoro-3-propylphenyl)-2-pyridinyl]azetidin-3-imine is CCCc1cccc(-c2ccc(N3CC(=NCC)C3)nc2)c1F.
What is the InChIKey of N-ethyl-1-[5-(2-fluoro-3-propylphenyl)-2-pyridinyl]azetidin-3-imine?
The InChIKey is GVCFJUSSSZCJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3/c1-3-6-14-7-5-8-17(19(14)20)15-9-10-18(22-11-15)23-12-16(13-23)21-4-2/h5,7-11H,3-4,6,12-13H2,1-2H3.
What are the key properties of N-ethyl-1-[5-(2-fluoro-3-propylphenyl)-2-pyridinyl]azetidin-3-imine?
N-ethyl-1-[5-(2-fluoro-3-propylphenyl)-2-pyridinyl]azetidin-3-imine has a molecular weight of 311.40 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(2-fluoro-3-propylphenyl)-2-pyridinyl]azetidin-3-imine is sourced from PubChem (CID 134591517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).