5-fluoro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide

C18H20FN3O — CID 58315768

IUPAC5-fluoro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(CCC2CCCN2)cc1)c1ccc(F)cn1
InChIInChI=1S/C18H20FN3O/c19-14-6-10-17(21-12-14)18(23)22-16-8-4-13(5-9-16)3-7-15-2-1-11-20-15/h4-6,8-10,12,15,20H,1-3,7,11H2,(H,22,23)
InChIKeyMMYTUCPUDVFPHB-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.16
Rot. Bonds5

About 5-fluoro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide

5-fluoro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide (PubChem CID 58315768) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 5-fluoro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide
PubChem CID58315768
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name5-fluoro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(CCC2CCCN2)cc1)c1ccc(F)cn1
InChIInChI=1S/C18H20FN3O/c19-14-6-10-17(21-12-14)18(23)22-16-8-4-13(5-9-16)3-7-15-2-1-11-20-15/h4-6,8-10,12,15,20H,1-3,7,11H2,(H,22,23)
InChIKeyMMYTUCPUDVFPHB-UHFFFAOYSA-N
XLogP3.16
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[4-(2-piperidin-2-ylethyl)phenyl]benzamide
CID 58315755
4-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide
CID 53251569
3-[4-[(5-fluoropyridine-2-carbonyl)amino]phenyl]propanoic acid
CID 104638373
N-[4-[(cyclopropylamino)methyl]phenyl]-5-fluoropyridine-2-carboxamide
CID 106910526
3,4-dichloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]benzamide;N-[4-(2-pyrrolidin-2-ylethyl)phenyl]-4-(trifluoromethyl)benzamide
CID 157239980
5-[2-(4-fluorophenyl)ethylamino]-N-phenylpyridine-2-carboxamide
CID 109192413
N-cyclohexyl-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109182937
N-(4-fluorophenyl)-5-(hydroxymethyl)pyridine-2-carboxamide
CID 45086782
2-(azepan-2-yl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 83120123
N-[4-[(2E)-2-amino-2-hydroxyiminoethyl]phenyl]-5-fluoropyridine-2-carboxamide
CID 104639473
N-(4-fluorophenyl)-5-[2-(4-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109284544
N-(4-ethoxyphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109192445

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-fluoro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide (CID 58315768) is 5-fluoro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(CCC2CCCN2)cc1)c1ccc(F)cn1.
What is the InChIKey of 5-fluoro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is MMYTUCPUDVFPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c19-14-6-10-17(21-12-14)18(23)22-16-8-4-13(5-9-16)3-7-15-2-1-11-20-15/h4-6,8-10,12,15,20H,1-3,7,11H2,(H,22,23).
What are the key properties of 5-fluoro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide?
5-fluoro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 58315768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).