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

C21H22N2O3 — CID 54376995

IUPAC4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1-methylpyridin-2-one
SMILESCn1ccc(-c2ccc(OC[C@H](O)CCc3cccnc3)cc2)cc1=O
InChIInChI=1S/C21H22N2O3/c1-23-12-10-18(13-21(23)25)17-5-8-20(9-6-17)26-15-19(24)7-4-16-3-2-11-22-14-16/h2-3,5-6,8-14,19,24H,4,7,15H2,1H3/t19-/m1/s1
InChIKeyUXFHGKBVMJRECE-LJQANCHMSA-N
MW350.42 g/mol
LogP2.82
Rot. Bonds7

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

4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1-methylpyridin-2-one (PubChem CID 54376995) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1-methylpyridin-2-one
PubChem CID54376995
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1-methylpyridin-2-one
SMILESCn1ccc(-c2ccc(OC[C@H](O)CCc3cccnc3)cc2)cc1=O
InChIInChI=1S/C21H22N2O3/c1-23-12-10-18(13-21(23)25)17-5-8-20(9-6-17)26-15-19(24)7-4-16-3-2-11-22-14-16/h2-3,5-6,8-14,19,24H,4,7,15H2,1H3/t19-/m1/s1
InChIKeyUXFHGKBVMJRECE-LJQANCHMSA-N
XLogP2.82
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1H-pyridin-2-one
CID 20637932
(2R)-1-(2-chloro-4-phenylphenoxy)-4-pyridin-3-ylbutan-2-ol
CID 54290314
(2S)-1-(6-bromonaphthalen-2-yl)oxy-4-pyridin-3-ylbutan-2-ol
CID 70240277
1-methoxy-4-pyridin-3-ylbutan-2-ol
CID 21334956
1-[1-[4-(3-methoxyphenyl)phenoxy]-4-pyridin-3-ylbutan-2-yl]pyrrole-2,5-diol
CID 54152747
1-[4-(1-bicyclo[2.2.2]octanylmethoxy)phenoxy]-4-pyridin-3-ylbutan-2-ol;oxalic acid
CID 67597547
(4R)-4-(4-phenylphenoxy)-1-pyridin-3-ylpentan-3-ol
CID 59970467
(3R,4S)-1-pyridin-3-yl-4-[4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenoxy]pentan-3-ol
CID 20692756
3-[1-(4-phenylphenoxy)-4-pyridin-3-ylbutan-2-yl]-1,3-thiazolidine-2,4-dione
CID 139901346
(3R,4S)-4-[4-[3-[2-(methylamino)ethyl]phenyl]phenoxy]-1-pyridin-3-ylpentan-3-ol
CID 59970499
1-[4-(6-methoxy-2-pyridinyl)phenoxy]-4-pyridin-4-ylbutan-2-ol
CID 54102677
5-methyl-4-(4-phenylphenoxy)-1-pyridin-3-ylhexan-3-ol
CID 18367564

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1-methylpyridin-2-one (CID 54376995) is 4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1-methylpyridin-2-one is Cn1ccc(-c2ccc(OC[C@H](O)CCc3cccnc3)cc2)cc1=O.
What is the InChIKey of 4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1-methylpyridin-2-one?
The InChIKey is UXFHGKBVMJRECE-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-23-12-10-18(13-21(23)25)17-5-8-20(9-6-17)26-15-19(24)7-4-16-3-2-11-22-14-16/h2-3,5-6,8-14,19,24H,4,7,15H2,1H3/t19-/m1/s1.
What are the key properties of 4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1-methylpyridin-2-one?
4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1-methylpyridin-2-one has a molecular weight of 350.42 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2R)-2-hydroxy-4-pyridin-3-ylbutoxy]phenyl]-1-methylpyridin-2-one is sourced from PubChem (CID 54376995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).