(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]propanamide

C15H22FN3O — CID 98852588

IUPAC(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]propanamide
SMILESC[C@@H]1CC[C@H](C)N1[C@H](C)C(=O)NCc1ncccc1F
InChIInChI=1S/C15H22FN3O/c1-10-6-7-11(2)19(10)12(3)15(20)18-9-14-13(16)5-4-8-17-14/h4-5,8,10-12H,6-7,9H2,1-3H3,(H,18,20)/t10-,11+,12-/m1/s1
InChIKeyCGGSCVAZYVXFSQ-GRYCIOLGSA-N
MW279.36 g/mol
LogP2.10
Rot. Bonds4

About (2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]propanamide

(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]propanamide (PubChem CID 98852588) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is (2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]propanamide
PubChem CID98852588
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]propanamide
SMILESC[C@@H]1CC[C@H](C)N1[C@H](C)C(=O)NCc1ncccc1F
InChIInChI=1S/C15H22FN3O/c1-10-6-7-11(2)19(10)12(3)15(20)18-9-14-13(16)5-4-8-17-14/h4-5,8,10-12H,6-7,9H2,1-3H3,(H,18,20)/t10-,11+,12-/m1/s1
InChIKeyCGGSCVAZYVXFSQ-GRYCIOLGSA-N
XLogP2.10
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]propanamide?
The IUPAC name of (2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]propanamide (CID 98852588) is (2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]propanamide?
The canonical SMILES for (2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]propanamide is C[C@@H]1CC[C@H](C)N1[C@H](C)C(=O)NCc1ncccc1F.
What is the InChIKey of (2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]propanamide?
The InChIKey is CGGSCVAZYVXFSQ-GRYCIOLGSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-10-6-7-11(2)19(10)12(3)15(20)18-9-14-13(16)5-4-8-17-14/h4-5,8,10-12H,6-7,9H2,1-3H3,(H,18,20)/t10-,11+,12-/m1/s1.
What are the key properties of (2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]propanamide?
(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]propanamide has a molecular weight of 279.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]propanamide is sourced from PubChem (CID 98852588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).