1-[3-cyclopropyl-5-(2-fluoro-3-propylphenyl)-2-pyridinyl]-N-methylazetidin-3-imine

C21H24FN3 — CID 134591446

IUPAC1-[3-cyclopropyl-5-(2-fluoro-3-propylphenyl)-2-pyridinyl]-N-methylazetidin-3-imine
SMILESCCCc1cccc(-c2cnc(N3CC(=NC)C3)c(C3CC3)c2)c1F
InChIInChI=1S/C21H24FN3/c1-3-5-15-6-4-7-18(20(15)22)16-10-19(14-8-9-14)21(24-11-16)25-12-17(13-25)23-2/h4,6-7,10-11,14H,3,5,8-9,12-13H2,1-2H3
InChIKeyXZHNYQFWDPAGGJ-UHFFFAOYSA-N
MW337.44 g/mol
LogP4.61
Rot. Bonds5

About 1-[3-cyclopropyl-5-(2-fluoro-3-propylphenyl)-2-pyridinyl]-N-methylazetidin-3-imine

1-[3-cyclopropyl-5-(2-fluoro-3-propylphenyl)-2-pyridinyl]-N-methylazetidin-3-imine (PubChem CID 134591446) has the molecular formula C21H24FN3 and a molecular weight of 337.44 g/mol. Its IUPAC name is 1-[3-cyclopropyl-5-(2-fluoro-3-propylphenyl)-2-pyridinyl]-N-methylazetidin-3-imine.

Molecular Properties

Compound Name1-[3-cyclopropyl-5-(2-fluoro-3-propylphenyl)-2-pyridinyl]-N-methylazetidin-3-imine
PubChem CID134591446
Molecular FormulaC21H24FN3
Molecular Weight337.44 g/mol
Exact Mass337.20
IUPAC Name1-[3-cyclopropyl-5-(2-fluoro-3-propylphenyl)-2-pyridinyl]-N-methylazetidin-3-imine
SMILESCCCc1cccc(-c2cnc(N3CC(=NC)C3)c(C3CC3)c2)c1F
InChIInChI=1S/C21H24FN3/c1-3-5-15-6-4-7-18(20(15)22)16-10-19(14-8-9-14)21(24-11-16)25-12-17(13-25)23-2/h4,6-7,10-11,14H,3,5,8-9,12-13H2,1-2H3
InChIKeyXZHNYQFWDPAGGJ-UHFFFAOYSA-N
XLogP4.61
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4,4-dimethylcyclohexyl)ethyl]-1-[3-fluoro-5-(2-fluoro-3-propylphenyl)-2-pyridinyl]azetidin-3-imine
CID 134591536
N-ethyl-1-[5-(2-fluoro-3-propylphenyl)-2-pyridinyl]azetidin-3-imine
CID 134591517
[2-fluoro-3-[5-fluoro-6-[3-(trideuteriomethoxyimino)azetidin-1-yl]-3-pyridinyl]phenyl]methanol
CID 134584914
[2-fluoro-3-[5-fluoro-6-(3-propoxyazetidin-1-yl)-3-pyridinyl]phenyl]methanol
CID 135200633
[3-[5-(difluoromethyl)-6-(3-methoxyiminoazetidin-1-yl)-3-pyridinyl]-2-fluorophenyl]methyl N-(diaminomethylidene)carbamate
CID 126564583
[2-fluoro-3-[5-fluoro-6-(3-methoxyiminoazetidin-1-yl)-3-pyridinyl]phenyl]methyl 3-amino-3-iminopropanoate
CID 160918446
[3-[6-(azetidin-1-yl)-5-fluoro-3-pyridinyl]-2-fluorophenyl]methanol
CID 135200646
1-(5-bromo-3-cyclopropyl-2-pyridinyl)-N-methoxyazetidin-3-imine
CID 126561739
[N'-[[3-[2-(3-ethoxyiminoazetidin-1-yl)pyrimidin-5-yl]-2-fluorophenyl]methyl]carbamimidoyl] carbamate
CID 172730804
[3-[6-[3-[2-(2,2-dimethyl-1,3-dioxol-4-yl)ethoxyimino]azetidin-1-yl]-5-fluoro-3-pyridinyl]-2-fluorophenyl]methyl N-(diaminomethylidene)carbamate
CID 146032297
[3-[6-[3-(1,3-dihydroxy-2-methylpropoxy)iminoazetidin-1-yl]-5-fluoro-3-pyridinyl]-2-fluorophenyl]methyl N-(diaminomethylidene)carbamate
CID 146027221
[2-fluoro-3-[2-[3-(1-methylazetidin-3-yl)oxyiminoazetidin-1-yl]pyrimidin-5-yl]phenyl]methanol
CID 126562530

Frequently Asked Questions

What is the IUPAC name of 1-[3-cyclopropyl-5-(2-fluoro-3-propylphenyl)-2-pyridinyl]-N-methylazetidin-3-imine?
The IUPAC name of 1-[3-cyclopropyl-5-(2-fluoro-3-propylphenyl)-2-pyridinyl]-N-methylazetidin-3-imine (CID 134591446) is 1-[3-cyclopropyl-5-(2-fluoro-3-propylphenyl)-2-pyridinyl]-N-methylazetidin-3-imine.
What is the SMILES notation for 1-[3-cyclopropyl-5-(2-fluoro-3-propylphenyl)-2-pyridinyl]-N-methylazetidin-3-imine?
The canonical SMILES for 1-[3-cyclopropyl-5-(2-fluoro-3-propylphenyl)-2-pyridinyl]-N-methylazetidin-3-imine is CCCc1cccc(-c2cnc(N3CC(=NC)C3)c(C3CC3)c2)c1F.
What is the InChIKey of 1-[3-cyclopropyl-5-(2-fluoro-3-propylphenyl)-2-pyridinyl]-N-methylazetidin-3-imine?
The InChIKey is XZHNYQFWDPAGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3/c1-3-5-15-6-4-7-18(20(15)22)16-10-19(14-8-9-14)21(24-11-16)25-12-17(13-25)23-2/h4,6-7,10-11,14H,3,5,8-9,12-13H2,1-2H3.
What are the key properties of 1-[3-cyclopropyl-5-(2-fluoro-3-propylphenyl)-2-pyridinyl]-N-methylazetidin-3-imine?
1-[3-cyclopropyl-5-(2-fluoro-3-propylphenyl)-2-pyridinyl]-N-methylazetidin-3-imine has a molecular weight of 337.44 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyclopropyl-5-(2-fluoro-3-propylphenyl)-2-pyridinyl]-N-methylazetidin-3-imine is sourced from PubChem (CID 134591446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).