1-(4-methoxyphenyl)-N-phenyl-4-pyridin-3-ylazetidin-2-imine

C21H19N3O — CID 126702630

IUPAC1-(4-methoxyphenyl)-N-phenyl-4-pyridin-3-ylazetidin-2-imine
SMILESCOc1ccc(N2/C(=N/c3ccccc3)CC2c2cccnc2)cc1
InChIInChI=1S/C21H19N3O/c1-25-19-11-9-18(10-12-19)24-20(16-6-5-13-22-15-16)14-21(24)23-17-7-3-2-4-8-17/h2-13,15,20H,14H2,1H3/b23-21+
InChIKeyUCWQAHRPAGTPKZ-XTQSDGFTSA-N
MW329.40 g/mol
LogP4.77
Rot. Bonds4

About 1-(4-methoxyphenyl)-N-phenyl-4-pyridin-3-ylazetidin-2-imine

1-(4-methoxyphenyl)-N-phenyl-4-pyridin-3-ylazetidin-2-imine (PubChem CID 126702630) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-phenyl-4-pyridin-3-ylazetidin-2-imine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-phenyl-4-pyridin-3-ylazetidin-2-imine
PubChem CID126702630
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name1-(4-methoxyphenyl)-N-phenyl-4-pyridin-3-ylazetidin-2-imine
SMILESCOc1ccc(N2/C(=N/c3ccccc3)CC2c2cccnc2)cc1
InChIInChI=1S/C21H19N3O/c1-25-19-11-9-18(10-12-19)24-20(16-6-5-13-22-15-16)14-21(24)23-17-7-3-2-4-8-17/h2-13,15,20H,14H2,1H3/b23-21+
InChIKeyUCWQAHRPAGTPKZ-XTQSDGFTSA-N
XLogP4.77
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.77
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

(4S)-1-(4-methoxyphenyl)-N,4-diphenylazetidin-2-imine
CID 164624389
N-(4-chlorophenyl)-1-(4-methoxyphenyl)-4-phenylazetidin-2-imine
CID 126702634
1-(4-ethoxyphenyl)-N,4-diphenylazetidin-2-imine
CID 126702629
2-[2-[4-(2-phenyl-4-phenyliminoazetidin-1-yl)phenoxy]ethoxy]ethanol
CID 137498449
(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
3-(4-methoxyphenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 13304116
4-[2-(4-methoxyphenyl)-3-pyridin-3-yl-3,4-dihydropyrazol-5-yl]benzonitrile
CID 10043703
3-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine
CID 141339325
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941
6-amino-1-(4-methoxyphenyl)-2-(4-methoxyphenyl)imino-4-phenyl-3,4-dihydropyridine-5-carbonitrile
CID 15366597
3-[(2S)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]pyridine
CID 906684
(4-methoxyphenyl)-pyridin-3-yliodanium
CID 24871781

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-phenyl-4-pyridin-3-ylazetidin-2-imine?
The IUPAC name of 1-(4-methoxyphenyl)-N-phenyl-4-pyridin-3-ylazetidin-2-imine (CID 126702630) is 1-(4-methoxyphenyl)-N-phenyl-4-pyridin-3-ylazetidin-2-imine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-phenyl-4-pyridin-3-ylazetidin-2-imine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-phenyl-4-pyridin-3-ylazetidin-2-imine is COc1ccc(N2/C(=N/c3ccccc3)CC2c2cccnc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-phenyl-4-pyridin-3-ylazetidin-2-imine?
The InChIKey is UCWQAHRPAGTPKZ-XTQSDGFTSA-N. The full InChI is InChI=1S/C21H19N3O/c1-25-19-11-9-18(10-12-19)24-20(16-6-5-13-22-15-16)14-21(24)23-17-7-3-2-4-8-17/h2-13,15,20H,14H2,1H3/b23-21+.
What are the key properties of 1-(4-methoxyphenyl)-N-phenyl-4-pyridin-3-ylazetidin-2-imine?
1-(4-methoxyphenyl)-N-phenyl-4-pyridin-3-ylazetidin-2-imine has a molecular weight of 329.40 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-phenyl-4-pyridin-3-ylazetidin-2-imine is sourced from PubChem (CID 126702630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).