5-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carbonitrile

C17H17N3O2 — CID 129482001

IUPAC5-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESCOc1cccc([C@@H]2C[C@@H](O)CN2c2ccc(C#N)nc2)c1
InChIInChI=1S/C17H17N3O2/c1-22-16-4-2-3-12(7-16)17-8-15(21)11-20(17)14-6-5-13(9-18)19-10-14/h2-7,10,15,17,21H,8,11H2,1H3/t15-,17+/m1/s1
InChIKeyQAXJLVONZGFVFY-WBVHZDCISA-N
MW295.34 g/mol
LogP2.27
Rot. Bonds3

About 5-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carbonitrile

5-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carbonitrile (PubChem CID 129482001) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
PubChem CID129482001
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name5-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESCOc1cccc([C@@H]2C[C@@H](O)CN2c2ccc(C#N)nc2)c1
InChIInChI=1S/C17H17N3O2/c1-22-16-4-2-3-12(7-16)17-8-15(21)11-20(17)14-6-5-13(9-18)19-10-14/h2-7,10,15,17,21H,8,11H2,1H3/t15-,17+/m1/s1
InChIKeyQAXJLVONZGFVFY-WBVHZDCISA-N
XLogP2.27
TPSA69.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2R,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyridine-2-carbonitrile
CID 129381162
2-fluoro-6-[(2S,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]benzonitrile
CID 129481975
(3R,5S)-1-(3-fluoro-2-pyridinyl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481949
5-(3-methoxyphenyl)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-ol
CID 128964251
5-(3-methoxyphenyl)-1-(4-methoxypyrimidin-2-yl)pyrrolidin-3-ol
CID 128964886
(3S,5R)-5-(3-methoxyphenyl)-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-ol
CID 129482038
(3S,5R)-5-(3-methoxyphenyl)-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-ol
CID 129481109
(3R,5R)-1-(6-ethyl-2-methylpyrimidin-4-yl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 129481983
(3S,5R)-1-(2-ethyl-6-methylpyrimidin-4-yl)-5-(3-methoxyphenyl)pyrrolidin-3-ol
CID 100647139
1-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-(5-methoxy-2-pyridinyl)ethanone
CID 129350000
N-ethyl-6-[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 129481990
(3R,5R)-5-(3-methoxyphenyl)-1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)pyrrolidin-3-ol
CID 129482017

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carbonitrile (CID 129482001) is 5-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carbonitrile is COc1cccc([C@@H]2C[C@@H](O)CN2c2ccc(C#N)nc2)c1.
What is the InChIKey of 5-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is QAXJLVONZGFVFY-WBVHZDCISA-N. The full InChI is InChI=1S/C17H17N3O2/c1-22-16-4-2-3-12(7-16)17-8-15(21)11-20(17)14-6-5-13(9-18)19-10-14/h2-7,10,15,17,21H,8,11H2,1H3/t15-,17+/m1/s1.
What are the key properties of 5-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carbonitrile?
5-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 295.34 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 129482001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).