(3R)-1-[3-(2-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide

C19H20FN3O2 — CID 95805090

IUPAC(3R)-1-[3-(2-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccn1)[C@@H]1CCN(C(=O)CCc2ccccc2F)C1
InChIInChI=1S/C19H20FN3O2/c20-16-6-2-1-5-14(16)8-9-18(24)23-12-10-15(13-23)19(25)22-17-7-3-4-11-21-17/h1-7,11,15H,8-10,12-13H2,(H,21,22,25)/t15-/m1/s1
InChIKeyAPMPJDBWBVVBBD-OAHLLOKOSA-N
MW341.39 g/mol
LogP2.64
Rot. Bonds5

About (3R)-1-[3-(2-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide

(3R)-1-[3-(2-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide (PubChem CID 95805090) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is (3R)-1-[3-(2-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[3-(2-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
PubChem CID95805090
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name(3R)-1-[3-(2-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccn1)[C@@H]1CCN(C(=O)CCc2ccccc2F)C1
InChIInChI=1S/C19H20FN3O2/c20-16-6-2-1-5-14(16)8-9-18(24)23-12-10-15(13-23)19(25)22-17-7-3-4-11-21-17/h1-7,11,15H,8-10,12-13H2,(H,21,22,25)/t15-/m1/s1
InChIKeyAPMPJDBWBVVBBD-OAHLLOKOSA-N
XLogP2.64
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(2-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[3-(2-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide (CID 95805090) is (3R)-1-[3-(2-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[3-(2-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[3-(2-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide is O=C(Nc1ccccn1)[C@@H]1CCN(C(=O)CCc2ccccc2F)C1.
What is the InChIKey of (3R)-1-[3-(2-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide?
The InChIKey is APMPJDBWBVVBBD-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20FN3O2/c20-16-6-2-1-5-14(16)8-9-18(24)23-12-10-15(13-23)19(25)22-17-7-3-4-11-21-17/h1-7,11,15H,8-10,12-13H2,(H,21,22,25)/t15-/m1/s1.
What are the key properties of (3R)-1-[3-(2-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide?
(3R)-1-[3-(2-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(2-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 95805090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).