N-(2-fluorophenyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide

C16H16FN3O — CID 2738279

IUPACN-(2-fluorophenyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCCC1c1cccnc1
InChIInChI=1S/C16H16FN3O/c17-13-6-1-2-7-14(13)19-16(21)20-10-4-8-15(20)12-5-3-9-18-11-12/h1-3,5-7,9,11,15H,4,8,10H2,(H,19,21)
InChIKeyYJYZQCROADTQPE-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.59
Rot. Bonds2

About N-(2-fluorophenyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide

N-(2-fluorophenyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide (PubChem CID 2738279) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide
PubChem CID2738279
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC NameN-(2-fluorophenyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCCC1c1cccnc1
InChIInChI=1S/C16H16FN3O/c17-13-6-1-2-7-14(13)19-16(21)20-10-4-8-15(20)12-5-3-9-18-11-12/h1-3,5-7,9,11,15H,4,8,10H2,(H,19,21)
InChIKeyYJYZQCROADTQPE-UHFFFAOYSA-N
XLogP3.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide (CID 2738279) is N-(2-fluorophenyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide is O=C(Nc1ccccc1F)N1CCCC1c1cccnc1.
What is the InChIKey of N-(2-fluorophenyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide?
The InChIKey is YJYZQCROADTQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c17-13-6-1-2-7-14(13)19-16(21)20-10-4-8-15(20)12-5-3-9-18-11-12/h1-3,5-7,9,11,15H,4,8,10H2,(H,19,21).
What are the key properties of N-(2-fluorophenyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide?
N-(2-fluorophenyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide has a molecular weight of 285.32 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-pyridin-3-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 2738279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).