(3R)-1-(4-cyano-2-fluorophenyl)-N-ethyl-N-pyridin-4-ylpyrrolidine-3-carboxamide

C19H19FN4O — CID 129487311

IUPAC(3R)-1-(4-cyano-2-fluorophenyl)-N-ethyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
SMILESCCN(C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccncc1
InChIInChI=1S/C19H19FN4O/c1-2-24(16-5-8-22-9-6-16)19(25)15-7-10-23(13-15)18-4-3-14(12-21)11-17(18)20/h3-6,8-9,11,15H,2,7,10,13H2,1H3/t15-/m1/s1
InChIKeyGTULBXSOQPZIJE-OAHLLOKOSA-N
MW338.39 g/mol
LogP2.97
Rot. Bonds4

About (3R)-1-(4-cyano-2-fluorophenyl)-N-ethyl-N-pyridin-4-ylpyrrolidine-3-carboxamide

(3R)-1-(4-cyano-2-fluorophenyl)-N-ethyl-N-pyridin-4-ylpyrrolidine-3-carboxamide (PubChem CID 129487311) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is (3R)-1-(4-cyano-2-fluorophenyl)-N-ethyl-N-pyridin-4-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-cyano-2-fluorophenyl)-N-ethyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
PubChem CID129487311
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name(3R)-1-(4-cyano-2-fluorophenyl)-N-ethyl-N-pyridin-4-ylpyrrolidine-3-carboxamide
SMILESCCN(C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccncc1
InChIInChI=1S/C19H19FN4O/c1-2-24(16-5-8-22-9-6-16)19(25)15-7-10-23(13-15)18-4-3-14(12-21)11-17(18)20/h3-6,8-9,11,15H,2,7,10,13H2,1H3/t15-/m1/s1
InChIKeyGTULBXSOQPZIJE-OAHLLOKOSA-N
XLogP2.97
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4-cyano-2-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 94917986
N-[1-[(3R)-1-(4-cyano-2-fluorophenyl)pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129327787
3-fluoro-4-(4-hydroxy-3-methylpiperidin-1-yl)benzonitrile
CID 114678508
1-(4-cyano-2-fluorophenyl)-N-[2-(propanoylamino)ethyl]piperidine-4-carboxamide
CID 166286739
4-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]piperidin-1-yl]-3-fluorobenzonitrile
CID 94817550
3-fluoro-4-(4-formylpiperidin-1-yl)benzonitrile
CID 62663101
1-(4-cyano-2-fluorophenyl)-N-[(1-fluorocyclopentyl)methyl]piperidine-4-carboxamide
CID 155946287
1-(4-cyano-2-fluorophenyl)-N-(4-ethyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 167912663
tert-butyl N-[[1-(4-cyano-2-fluorophenyl)pyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 133300912
1-(4-cyano-2-fluorophenyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 55164809
3-fluoro-4-[3-(1-hydroxyethyl)piperidin-1-yl]benzonitrile
CID 133397554
3-fluoro-4-(3-hydroxypiperidin-1-yl)benzonitrile
CID 56828410

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-cyano-2-fluorophenyl)-N-ethyl-N-pyridin-4-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-cyano-2-fluorophenyl)-N-ethyl-N-pyridin-4-ylpyrrolidine-3-carboxamide (CID 129487311) is (3R)-1-(4-cyano-2-fluorophenyl)-N-ethyl-N-pyridin-4-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-cyano-2-fluorophenyl)-N-ethyl-N-pyridin-4-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-cyano-2-fluorophenyl)-N-ethyl-N-pyridin-4-ylpyrrolidine-3-carboxamide is CCN(C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)c1ccncc1.
What is the InChIKey of (3R)-1-(4-cyano-2-fluorophenyl)-N-ethyl-N-pyridin-4-ylpyrrolidine-3-carboxamide?
The InChIKey is GTULBXSOQPZIJE-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-2-24(16-5-8-22-9-6-16)19(25)15-7-10-23(13-15)18-4-3-14(12-21)11-17(18)20/h3-6,8-9,11,15H,2,7,10,13H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-1-(4-cyano-2-fluorophenyl)-N-ethyl-N-pyridin-4-ylpyrrolidine-3-carboxamide?
(3R)-1-(4-cyano-2-fluorophenyl)-N-ethyl-N-pyridin-4-ylpyrrolidine-3-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-cyano-2-fluorophenyl)-N-ethyl-N-pyridin-4-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 129487311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).