6-[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile

C18H15F2N3O2 — CID 129372569

IUPAC6-[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile
SMILESCc1nc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)ccc1C#N
InChIInChI=1S/C18H15F2N3O2/c1-10-11(8-21)2-5-16(22-10)18(25)23-9-13(24)7-17(23)14-6-12(19)3-4-15(14)20/h2-6,13,17,24H,7,9H2,1H3/t13-,17-/m0/s1
InChIKeyXAZAEEQDEKERBS-GUYCJALGSA-N
MW343.33 g/mol
LogP2.49
Rot. Bonds2

About 6-[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile

6-[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile (PubChem CID 129372569) has the molecular formula C18H15F2N3O2 and a molecular weight of 343.33 g/mol. Its IUPAC name is 6-[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile
PubChem CID129372569
Molecular FormulaC18H15F2N3O2
Molecular Weight343.33 g/mol
Exact Mass343.11
IUPAC Name6-[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile
SMILESCc1nc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)ccc1C#N
InChIInChI=1S/C18H15F2N3O2/c1-10-11(8-21)2-5-16(22-10)18(25)23-9-13(24)7-17(23)14-6-12(19)3-4-15(14)20/h2-6,13,17,24H,7,9H2,1H3/t13-,17-/m0/s1
InChIKeyXAZAEEQDEKERBS-GUYCJALGSA-N
XLogP2.49
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile?
The IUPAC name of 6-[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile (CID 129372569) is 6-[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile is Cc1nc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)ccc1C#N.
What is the InChIKey of 6-[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile?
The InChIKey is XAZAEEQDEKERBS-GUYCJALGSA-N. The full InChI is InChI=1S/C18H15F2N3O2/c1-10-11(8-21)2-5-16(22-10)18(25)23-9-13(24)7-17(23)14-6-12(19)3-4-15(14)20/h2-6,13,17,24H,7,9H2,1H3/t13-,17-/m0/s1.
What are the key properties of 6-[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile?
6-[(2S,4S)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile has a molecular weight of 343.33 g/mol, XLogP of 2.49, 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-(2,5-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile is sourced from PubChem (CID 129372569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).