4-[(3R)-2-oxo-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-1-yl]benzonitrile

C20H19F3N4O — CID 70793903

IUPAC4-[(3R)-2-oxo-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-1-yl]benzonitrile
SMILESCC(C)(N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H19F3N4O/c1-19(2,16-4-3-5-17(25-16)20(21,22)23)26-15-10-11-27(18(15)28)14-8-6-13(12-24)7-9-14/h3-9,15,26H,10-11H2,1-2H3/t15-/m1/s1
InChIKeyRJDMOIFHGFLHOK-OAHLLOKOSA-N
MW388.39 g/mol
LogP3.60
Rot. Bonds4

About 4-[(3R)-2-oxo-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-1-yl]benzonitrile

4-[(3R)-2-oxo-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-1-yl]benzonitrile (PubChem CID 70793903) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is 4-[(3R)-2-oxo-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[(3R)-2-oxo-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-1-yl]benzonitrile
PubChem CID70793903
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC Name4-[(3R)-2-oxo-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-1-yl]benzonitrile
SMILESCC(C)(N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H19F3N4O/c1-19(2,16-4-3-5-17(25-16)20(21,22)23)26-15-10-11-27(18(15)28)14-8-6-13(12-24)7-9-14/h3-9,15,26H,10-11H2,1-2H3/t15-/m1/s1
InChIKeyRJDMOIFHGFLHOK-OAHLLOKOSA-N
XLogP3.60
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(5-cyano-1-methyl-1H-pyrrol-2-yl)phenyl]-2-methylpropanamide
CID 16037461
N-[4-(5-cyano-1-methyl-1H-pyrrol-2-yl)phenyl]butanamide
CID 16037463
N-[(3S,4R)-4-[6-(1,1-difluoroethyl)-3-pyridinyl]pyrrolidin-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 146643591
2-[4-(6-cyano-2-pyridinyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 16094674
(3R,4S)-N-[(1S)-1-[4-(dimethylamino)phenyl]ethyl]-4-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 155512870
(3S,4R)-N-[(1S)-1-[4-(dimethylamino)phenyl]ethyl]-4-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 155554013
2-[4-(dimethylamino)phenyl]-N-[(3S,4R)-4-[6-(1,1,2,2,2-pentafluoroethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 162644729
2-[4-(dimethylamino)phenyl]-N-[(3R,4S)-4-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 162661634
(2S,4R)-N-[(S)-[5-(3,3-difluorocyclobutyl)-6-fluoro-2-pyridinyl]-phenylmethyl]-1-[2-(4-ethyl-5-oxopyrazin-2-yl)acetyl]-4-fluoropyrrolidine-2-carboxamide
CID 165138517
(2S,4R)-1-[2-(1-ethyl-2-oxo-3-pyridinyl)acetyl]-4-fluoro-N-[(S)-(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide
CID 165139021
(2S,4R)-N-[(S)-(5-cyclopropyl-6-fluoro-2-pyridinyl)-phenylmethyl]-4-fluoro-1-[2-(methylcarbamoylamino)acetyl]pyrrolidine-2-carboxamide
CID 165139104
(2S,4R)-1-[(2R)-2-(dimethylcarbamoylamino)propanoyl]-4-fluoro-N-[(S)-(6-fluoro-5-propan-2-yl-2-pyridinyl)-phenylmethyl]pyrrolidine-2-carboxamide
CID 165139188

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-2-oxo-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-1-yl]benzonitrile?
The IUPAC name of 4-[(3R)-2-oxo-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-1-yl]benzonitrile (CID 70793903) is 4-[(3R)-2-oxo-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-1-yl]benzonitrile.
What is the SMILES notation for 4-[(3R)-2-oxo-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-1-yl]benzonitrile?
The canonical SMILES for 4-[(3R)-2-oxo-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-1-yl]benzonitrile is CC(C)(N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 4-[(3R)-2-oxo-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-1-yl]benzonitrile?
The InChIKey is RJDMOIFHGFLHOK-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H19F3N4O/c1-19(2,16-4-3-5-17(25-16)20(21,22)23)26-15-10-11-27(18(15)28)14-8-6-13(12-24)7-9-14/h3-9,15,26H,10-11H2,1-2H3/t15-/m1/s1.
What are the key properties of 4-[(3R)-2-oxo-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-1-yl]benzonitrile?
4-[(3R)-2-oxo-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-1-yl]benzonitrile has a molecular weight of 388.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-2-oxo-3-[2-[6-(trifluoromethyl)-2-pyridinyl]propan-2-ylamino]pyrrolidin-1-yl]benzonitrile is sourced from PubChem (CID 70793903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).