4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1H-pyridin-2-one

C20H20N2O3 — CID 20637932

IUPAC4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1H-pyridin-2-one
SMILESO=c1cc(-c2ccc(OC[C@H](O)CCc3cccnc3)cc2)cc[nH]1
InChIInChI=1S/C20H20N2O3/c23-18(6-3-15-2-1-10-21-13-15)14-25-19-7-4-16(5-8-19)17-9-11-22-20(24)12-17/h1-2,4-5,7-13,18,23H,3,6,14H2,(H,22,24)/t18-/m1/s1
InChIKeyUNJNALAGQXBOTH-GOSISDBHSA-N
MW336.39 g/mol
LogP2.81
Rot. Bonds7

About 4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1H-pyridin-2-one

4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1H-pyridin-2-one (PubChem CID 20637932) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1H-pyridin-2-one
PubChem CID20637932
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1H-pyridin-2-one
SMILESO=c1cc(-c2ccc(OC[C@H](O)CCc3cccnc3)cc2)cc[nH]1
InChIInChI=1S/C20H20N2O3/c23-18(6-3-15-2-1-10-21-13-15)14-25-19-7-4-16(5-8-19)17-9-11-22-20(24)12-17/h1-2,4-5,7-13,18,23H,3,6,14H2,(H,22,24)/t18-/m1/s1
InChIKeyUNJNALAGQXBOTH-GOSISDBHSA-N
XLogP2.81
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1-methylpyridin-2-one
CID 54376995
(2S)-1-(6-bromonaphthalen-2-yl)oxy-4-pyridin-3-ylbutan-2-ol
CID 70240277
(2R)-1-(2-chloro-4-phenylphenoxy)-4-pyridin-3-ylbutan-2-ol
CID 54290314
1-methoxy-4-pyridin-3-ylbutan-2-ol
CID 21334956
1-[4-(1-bicyclo[2.2.2]octanylmethoxy)phenoxy]-4-pyridin-3-ylbutan-2-ol;oxalic acid
CID 67597547
1-[1-[4-(3-methoxyphenyl)phenoxy]-4-pyridin-3-ylbutan-2-yl]pyrrole-2,5-diol
CID 54152747
(4R)-4-(4-phenylphenoxy)-1-pyridin-3-ylpentan-3-ol
CID 59970467
3-[1-(4-phenylphenoxy)-4-pyridin-3-ylbutan-2-yl]-1,3-thiazolidine-2,4-dione
CID 139901346
(3S)-1-pyridin-3-ylhex-5-en-3-ol
CID 124576146
(3R,4S)-4-[4-[3-[2-(methylamino)ethyl]phenyl]phenoxy]-1-pyridin-3-ylpentan-3-ol
CID 59970499
5-methyl-4-(4-phenylphenoxy)-1-pyridin-3-ylhexan-3-ol
CID 18367564
(3R,4S)-1-pyridin-3-yl-4-[4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenoxy]pentan-3-ol
CID 20692756

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1H-pyridin-2-one?
The IUPAC name of 4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1H-pyridin-2-one (CID 20637932) is 4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1H-pyridin-2-one is O=c1cc(-c2ccc(OC[C@H](O)CCc3cccnc3)cc2)cc[nH]1.
What is the InChIKey of 4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1H-pyridin-2-one?
The InChIKey is UNJNALAGQXBOTH-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-18(6-3-15-2-1-10-21-13-15)14-25-19-7-4-16(5-8-19)17-9-11-22-20(24)12-17/h1-2,4-5,7-13,18,23H,3,6,14H2,(H,22,24)/t18-/m1/s1.
What are the key properties of 4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1H-pyridin-2-one?
4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1H-pyridin-2-one has a molecular weight of 336.39 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1H-pyridin-2-one is sourced from PubChem (CID 20637932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).