1-[3-(4-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide

C19H20FN3O2 — CID 110246626

IUPAC1-[3-(4-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccn1)C1CCN(C(=O)CCc2ccc(F)cc2)C1
InChIInChI=1S/C19H20FN3O2/c20-16-7-4-14(5-8-16)6-9-18(24)23-12-10-15(13-23)19(25)22-17-3-1-2-11-21-17/h1-5,7-8,11,15H,6,9-10,12-13H2,(H,21,22,25)
InChIKeyOUAADKUBERGRDL-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.64
Rot. Bonds5

About 1-[3-(4-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide

1-[3-(4-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide (PubChem CID 110246626) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
PubChem CID110246626
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name1-[3-(4-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1ccccn1)C1CCN(C(=O)CCc2ccc(F)cc2)C1
InChIInChI=1S/C19H20FN3O2/c20-16-7-4-14(5-8-16)6-9-18(24)23-12-10-15(13-23)19(25)22-17-3-1-2-11-21-17/h1-5,7-8,11,15H,6,9-10,12-13H2,(H,21,22,25)
InChIKeyOUAADKUBERGRDL-UHFFFAOYSA-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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Related Compounds

(3S)-1-[2-(2-fluorophenoxy)acetyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 92633338
1-[2-(4-fluorophenyl)-2-methylpropanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 110246623
N-(4-methyl-2-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46411285
1-(2-phenylsulfanylacetyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808341
1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 46411181
(3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 51927409
N-[4-[2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]ethyl]-2-pyridinyl]acetamide
CID 125009624
1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55808213
N-(2-aminoethyl)-1-[3-(4-fluorophenyl)propanoyl]piperidine-3-carboxamide
CID 119479232
N-pyridin-2-yl-1-[2-(pyridin-3-ylmethylsulfanyl)acetyl]piperidine-4-carboxamide
CID 55808540
N-(6-amino-3-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 119514987
N-(2-aminoethyl)-1-[3-(4-fluorophenyl)propanoyl]piperidine-3-carboxamide;hydrochloride
CID 119479231

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[3-(4-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide (CID 110246626) is 1-[3-(4-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[3-(4-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[3-(4-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide is O=C(Nc1ccccn1)C1CCN(C(=O)CCc2ccc(F)cc2)C1.
What is the InChIKey of 1-[3-(4-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide?
The InChIKey is OUAADKUBERGRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c20-16-7-4-14(5-8-16)6-9-18(24)23-12-10-15(13-23)19(25)22-17-3-1-2-11-21-17/h1-5,7-8,11,15H,6,9-10,12-13H2,(H,21,22,25).
What are the key properties of 1-[3-(4-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide?
1-[3-(4-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 1-[3-(4-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110246626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).