[3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]-morpholin-4-ylmethanone

C23H22N2O3 — CID 56993724

IUPAC[3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(-c2ccnc(Cc3ccccc3)c2O)c1)N1CCOCC1
InChIInChI=1S/C23H22N2O3/c26-22-20(9-10-24-21(22)15-17-5-2-1-3-6-17)18-7-4-8-19(16-18)23(27)25-11-13-28-14-12-25/h1-10,16,26H,11-15H2
InChIKeyFDEZLYYGTMBRQV-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.52
Rot. Bonds4

About [3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]-morpholin-4-ylmethanone

[3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]-morpholin-4-ylmethanone (PubChem CID 56993724) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is [3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]-morpholin-4-ylmethanone
PubChem CID56993724
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name[3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(-c2ccnc(Cc3ccccc3)c2O)c1)N1CCOCC1
InChIInChI=1S/C23H22N2O3/c26-22-20(9-10-24-21(22)15-17-5-2-1-3-6-17)18-7-4-8-19(16-18)23(27)25-11-13-28-14-12-25/h1-10,16,26H,11-15H2
InChIKeyFDEZLYYGTMBRQV-UHFFFAOYSA-N
XLogP3.52
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(morpholine-4-carbonyl)-2-pyridinyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 171623322
[2-(3-fluoro-4-phenylmethoxyphenyl)-4-pyridinyl]-morpholin-4-ylmethanone
CID 74234077
[3-(4-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 2428040
morpholin-4-yl-[3-(2H-tetrazol-5-yl)phenyl]methanone
CID 60667374
ethane;(3-ethylphenyl)-morpholin-4-ylmethanone
CID 143725238
[3-(1H-imidazol-2-yl)phenyl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 77096390
morpholin-4-yl-[3-[2-[4-(trifluoromethylsulfinyl)phenyl]furo[3,2-b]pyridin-7-yl]phenyl]methanone
CID 170785343
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
(4-chloro-3-phenylphenyl)-morpholin-4-ylmethanone
CID 110675198
2-benzyl-4-[3-(morpholine-4-carbonyl)phenyl]-4H-pyridin-3-one
CID 67692932
4,5-dihydroxy-2-[3-(morpholine-4-carbonyl)phenyl]benzene-1,3-dicarbonitrile
CID 90015873
[4-(furan-2-carbonyl)piperazin-1-yl]-[2-(morpholine-4-carbonyl)-4-pyridinyl]methanone
CID 109083000

Frequently Asked Questions

What is the IUPAC name of [3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]-morpholin-4-ylmethanone (CID 56993724) is [3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]-morpholin-4-ylmethanone is O=C(c1cccc(-c2ccnc(Cc3ccccc3)c2O)c1)N1CCOCC1.
What is the InChIKey of [3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]-morpholin-4-ylmethanone?
The InChIKey is FDEZLYYGTMBRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-22-20(9-10-24-21(22)15-17-5-2-1-3-6-17)18-7-4-8-19(16-18)23(27)25-11-13-28-14-12-25/h1-10,16,26H,11-15H2.
What are the key properties of [3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]-morpholin-4-ylmethanone?
[3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]-morpholin-4-ylmethanone has a molecular weight of 374.44 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 56993724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).