[(3R)-3-hydroxypyrrolidin-1-yl]-[4-(4-methoxy-2-pyridinyl)phenyl]methanone

C17H18N2O3 — CID 122572750

IUPAC[(3R)-3-hydroxypyrrolidin-1-yl]-[4-(4-methoxy-2-pyridinyl)phenyl]methanone
SMILESCOc1ccnc(-c2ccc(C(=O)N3CC[C@@H](O)C3)cc2)c1
InChIInChI=1S/C17H18N2O3/c1-22-15-6-8-18-16(10-15)12-2-4-13(5-3-12)17(21)19-9-7-14(20)11-19/h2-6,8,10,14,20H,7,9,11H2,1H3/t14-/m1/s1
InChIKeyGGLWUYDETMUEJP-CQSZACIVSA-N
MW298.34 g/mol
LogP1.96
Rot. Bonds3

About [(3R)-3-hydroxypyrrolidin-1-yl]-[4-(4-methoxy-2-pyridinyl)phenyl]methanone

[(3R)-3-hydroxypyrrolidin-1-yl]-[4-(4-methoxy-2-pyridinyl)phenyl]methanone (PubChem CID 122572750) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is [(3R)-3-hydroxypyrrolidin-1-yl]-[4-(4-methoxy-2-pyridinyl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxypyrrolidin-1-yl]-[4-(4-methoxy-2-pyridinyl)phenyl]methanone
PubChem CID122572750
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name[(3R)-3-hydroxypyrrolidin-1-yl]-[4-(4-methoxy-2-pyridinyl)phenyl]methanone
SMILESCOc1ccnc(-c2ccc(C(=O)N3CC[C@@H](O)C3)cc2)c1
InChIInChI=1S/C17H18N2O3/c1-22-15-6-8-18-16(10-15)12-2-4-13(5-3-12)17(21)19-9-7-14(20)11-19/h2-6,8,10,14,20H,7,9,11H2,1H3/t14-/m1/s1
InChIKeyGGLWUYDETMUEJP-CQSZACIVSA-N
XLogP1.96
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3R)-3-hydroxypyrrolidin-1-yl]-[4-(4-methoxy-2-pyridinyl)phenyl]methanone with MolForge

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Related Compounds

[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 129492955
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 111561506
(4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261765
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
(4-fluoro-3-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 81002014
[4-(2,6-dimethoxypyrimidin-4-yl)phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 118789099
(3-hydroxypiperidin-1-yl)-(2-methoxy-4-pyridinyl)methanone
CID 121200431
[(3S)-3-hydroxypyrrolidin-1-yl]-(3-methoxy-4-nitrophenyl)methanone
CID 103745555
1-(3-hydroxypyrrolidin-1-yl)-2-[[2-(4-methoxy-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]ethanone
CID 166817040
[2-(dimethylamino)-4-pyridinyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79031539
(2,5-dimethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262175
(3-ethoxy-4-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261492

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-[4-(4-methoxy-2-pyridinyl)phenyl]methanone?
The IUPAC name of [(3R)-3-hydroxypyrrolidin-1-yl]-[4-(4-methoxy-2-pyridinyl)phenyl]methanone (CID 122572750) is [(3R)-3-hydroxypyrrolidin-1-yl]-[4-(4-methoxy-2-pyridinyl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-hydroxypyrrolidin-1-yl]-[4-(4-methoxy-2-pyridinyl)phenyl]methanone?
The canonical SMILES for [(3R)-3-hydroxypyrrolidin-1-yl]-[4-(4-methoxy-2-pyridinyl)phenyl]methanone is COc1ccnc(-c2ccc(C(=O)N3CC[C@@H](O)C3)cc2)c1.
What is the InChIKey of [(3R)-3-hydroxypyrrolidin-1-yl]-[4-(4-methoxy-2-pyridinyl)phenyl]methanone?
The InChIKey is GGLWUYDETMUEJP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-22-15-6-8-18-16(10-15)12-2-4-13(5-3-12)17(21)19-9-7-14(20)11-19/h2-6,8,10,14,20H,7,9,11H2,1H3/t14-/m1/s1.
What are the key properties of [(3R)-3-hydroxypyrrolidin-1-yl]-[4-(4-methoxy-2-pyridinyl)phenyl]methanone?
[(3R)-3-hydroxypyrrolidin-1-yl]-[4-(4-methoxy-2-pyridinyl)phenyl]methanone has a molecular weight of 298.34 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxypyrrolidin-1-yl]-[4-(4-methoxy-2-pyridinyl)phenyl]methanone is sourced from PubChem (CID 122572750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).