6-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile

C18H16FN3O2 — CID 129481779

IUPAC6-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile
SMILESCc1nc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)ccc1C#N
InChIInChI=1S/C18H16FN3O2/c1-11-13(9-20)5-6-16(21-11)18(24)22-10-15(23)8-17(22)12-3-2-4-14(19)7-12/h2-7,15,17,23H,8,10H2,1H3/t15-,17-/m0/s1
InChIKeyWPRLXOIKESLWPP-RDJZCZTQSA-N
MW325.34 g/mol
LogP2.35
Rot. Bonds2

About 6-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile

6-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile (PubChem CID 129481779) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 6-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile
PubChem CID129481779
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name6-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile
SMILESCc1nc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)ccc1C#N
InChIInChI=1S/C18H16FN3O2/c1-11-13(9-20)5-6-16(21-11)18(24)22-10-15(23)8-17(22)12-3-2-4-14(19)7-12/h2-7,15,17,23H,8,10H2,1H3/t15-,17-/m0/s1
InChIKeyWPRLXOIKESLWPP-RDJZCZTQSA-N
XLogP2.35
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile
CID 129372569
(2,6-dimethylpyrimidin-4-yl)-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 100719228
4-[2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-5-methylfuran-2-carbonitrile
CID 128964177
[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 129482041
[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 100719381
[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-pentan-3-ylpyrazol-3-yl)methanone
CID 129481689
6-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile
CID 66052380
[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1-propan-2-ylimidazol-4-yl)methanone
CID 129481668
[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-oxazol-4-yl)methanone
CID 129481755
[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 129350313
(1,3-dimethylpyrrol-2-yl)-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 128990038
[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 100652964

Frequently Asked Questions

What is the IUPAC name of 6-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile?
The IUPAC name of 6-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile (CID 129481779) is 6-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile is Cc1nc(C(=O)N2C[C@@H](O)C[C@H]2c2cccc(F)c2)ccc1C#N.
What is the InChIKey of 6-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile?
The InChIKey is WPRLXOIKESLWPP-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-11-13(9-20)5-6-16(21-11)18(24)22-10-15(23)8-17(22)12-3-2-4-14(19)7-12/h2-7,15,17,23H,8,10H2,1H3/t15-,17-/m0/s1.
What are the key properties of 6-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile?
6-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile has a molecular weight of 325.34 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile is sourced from PubChem (CID 129481779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).