2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide

C16H24FN3O2 — CID 155374666

IUPAC2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide
SMILESCC(C)CC(C(N)=O)n1cc(CN2CC[C@@H](F)C2)ccc1=O
InChIInChI=1S/C16H24FN3O2/c1-11(2)7-14(16(18)22)20-9-12(3-4-15(20)21)8-19-6-5-13(17)10-19/h3-4,9,11,13-14H,5-8,10H2,1-2H3,(H2,18,22)/t13-,14?/m1/s1
InChIKeyUMBRBIOYEKLHAM-KWCCSABGSA-N
MW309.39 g/mol
LogP1.46
Rot. Bonds6

About 2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide

2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide (PubChem CID 155374666) has the molecular formula C16H24FN3O2 and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide
PubChem CID155374666
Molecular FormulaC16H24FN3O2
Molecular Weight309.39 g/mol
Exact Mass309.19
IUPAC Name2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide
SMILESCC(C)CC(C(N)=O)n1cc(CN2CC[C@@H](F)C2)ccc1=O
InChIInChI=1S/C16H24FN3O2/c1-11(2)7-14(16(18)22)20-9-12(3-4-15(20)21)8-19-6-5-13(17)10-19/h3-4,9,11,13-14H,5-8,10H2,1-2H3,(H2,18,22)/t13-,14?/m1/s1
InChIKeyUMBRBIOYEKLHAM-KWCCSABGSA-N
XLogP1.46
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide?
The IUPAC name of 2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide (CID 155374666) is 2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide.
What is the SMILES notation for 2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide?
The canonical SMILES for 2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide is CC(C)CC(C(N)=O)n1cc(CN2CC[C@@H](F)C2)ccc1=O.
What is the InChIKey of 2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide?
The InChIKey is UMBRBIOYEKLHAM-KWCCSABGSA-N. The full InChI is InChI=1S/C16H24FN3O2/c1-11(2)7-14(16(18)22)20-9-12(3-4-15(20)21)8-19-6-5-13(17)10-19/h3-4,9,11,13-14H,5-8,10H2,1-2H3,(H2,18,22)/t13-,14?/m1/s1.
What are the key properties of 2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide?
2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide has a molecular weight of 309.39 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide is sourced from PubChem (CID 155374666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).