(3S,4R)-3-phenoxy-1,4-dipyridin-4-ylazetidin-2-one

C19H15N3O2 — CID 44825482

IUPAC(3S,4R)-3-phenoxy-1,4-dipyridin-4-ylazetidin-2-one
SMILESO=C1[C@@H](Oc2ccccc2)[C@@H](c2ccncc2)N1c1ccncc1
InChIInChI=1S/C19H15N3O2/c23-19-18(24-16-4-2-1-3-5-16)17(14-6-10-20-11-7-14)22(19)15-8-12-21-13-9-15/h1-13,17-18H/t17-,18+/m1/s1
InChIKeyPLNHRZMKFIOSER-MSOLQXFVSA-N
MW317.35 g/mol
LogP3.01
Rot. Bonds4

About (3S,4R)-3-phenoxy-1,4-dipyridin-4-ylazetidin-2-one

(3S,4R)-3-phenoxy-1,4-dipyridin-4-ylazetidin-2-one (PubChem CID 44825482) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is (3S,4R)-3-phenoxy-1,4-dipyridin-4-ylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-phenoxy-1,4-dipyridin-4-ylazetidin-2-one
PubChem CID44825482
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name(3S,4R)-3-phenoxy-1,4-dipyridin-4-ylazetidin-2-one
SMILESO=C1[C@@H](Oc2ccccc2)[C@@H](c2ccncc2)N1c1ccncc1
InChIInChI=1S/C19H15N3O2/c23-19-18(24-16-4-2-1-3-5-16)17(14-6-10-20-11-7-14)22(19)15-8-12-21-13-9-15/h1-13,17-18H/t17-,18+/m1/s1
InChIKeyPLNHRZMKFIOSER-MSOLQXFVSA-N
XLogP3.01
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-phenoxy-1,4-dipyridin-4-ylazetidin-2-one?
The IUPAC name of (3S,4R)-3-phenoxy-1,4-dipyridin-4-ylazetidin-2-one (CID 44825482) is (3S,4R)-3-phenoxy-1,4-dipyridin-4-ylazetidin-2-one.
What is the SMILES notation for (3S,4R)-3-phenoxy-1,4-dipyridin-4-ylazetidin-2-one?
The canonical SMILES for (3S,4R)-3-phenoxy-1,4-dipyridin-4-ylazetidin-2-one is O=C1[C@@H](Oc2ccccc2)[C@@H](c2ccncc2)N1c1ccncc1.
What is the InChIKey of (3S,4R)-3-phenoxy-1,4-dipyridin-4-ylazetidin-2-one?
The InChIKey is PLNHRZMKFIOSER-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H15N3O2/c23-19-18(24-16-4-2-1-3-5-16)17(14-6-10-20-11-7-14)22(19)15-8-12-21-13-9-15/h1-13,17-18H/t17-,18+/m1/s1.
What are the key properties of (3S,4R)-3-phenoxy-1,4-dipyridin-4-ylazetidin-2-one?
(3S,4R)-3-phenoxy-1,4-dipyridin-4-ylazetidin-2-one has a molecular weight of 317.35 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-phenoxy-1,4-dipyridin-4-ylazetidin-2-one is sourced from PubChem (CID 44825482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).