2-[(2S,4R)-4-amino-2-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide

C22H26FN5O3 — CID 68646481

IUPAC2-[(2S,4R)-4-amino-2-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide
SMILESN[C@@H]1C[C@@H](CN2CCCC2=O)N(CC(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1
InChIInChI=1S/C22H26FN5O3/c23-18-11-16(28-9-2-1-4-22(28)31)6-7-19(18)25-20(29)14-27-12-15(24)10-17(27)13-26-8-3-5-21(26)30/h1-2,4,6-7,9,11,15,17H,3,5,8,10,12-14,24H2,(H,25,29)/t15-,17+/m1/s1
InChIKeyRHWQJWQXAZHCQF-WBVHZDCISA-N
MW427.48 g/mol
LogP0.94
Rot. Bonds6

About 2-[(2S,4R)-4-amino-2-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide

2-[(2S,4R)-4-amino-2-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide (PubChem CID 68646481) has the molecular formula C22H26FN5O3 and a molecular weight of 427.48 g/mol. Its IUPAC name is 2-[(2S,4R)-4-amino-2-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2S,4R)-4-amino-2-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide
PubChem CID68646481
Molecular FormulaC22H26FN5O3
Molecular Weight427.48 g/mol
Exact Mass427.20
IUPAC Name2-[(2S,4R)-4-amino-2-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide
SMILESN[C@@H]1C[C@@H](CN2CCCC2=O)N(CC(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1
InChIInChI=1S/C22H26FN5O3/c23-18-11-16(28-9-2-1-4-22(28)31)6-7-19(18)25-20(29)14-27-12-15(24)10-17(27)13-26-8-3-5-21(26)30/h1-2,4,6-7,9,11,15,17H,3,5,8,10,12-14,24H2,(H,25,29)/t15-,17+/m1/s1
InChIKeyRHWQJWQXAZHCQF-WBVHZDCISA-N
XLogP0.94
TPSA100.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R)-4-amino-2-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide?
The IUPAC name of 2-[(2S,4R)-4-amino-2-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide (CID 68646481) is 2-[(2S,4R)-4-amino-2-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2S,4R)-4-amino-2-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide?
The canonical SMILES for 2-[(2S,4R)-4-amino-2-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide is N[C@@H]1C[C@@H](CN2CCCC2=O)N(CC(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1.
What is the InChIKey of 2-[(2S,4R)-4-amino-2-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide?
The InChIKey is RHWQJWQXAZHCQF-WBVHZDCISA-N. The full InChI is InChI=1S/C22H26FN5O3/c23-18-11-16(28-9-2-1-4-22(28)31)6-7-19(18)25-20(29)14-27-12-15(24)10-17(27)13-26-8-3-5-21(26)30/h1-2,4,6-7,9,11,15,17H,3,5,8,10,12-14,24H2,(H,25,29)/t15-,17+/m1/s1.
What are the key properties of 2-[(2S,4R)-4-amino-2-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide?
2-[(2S,4R)-4-amino-2-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide has a molecular weight of 427.48 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R)-4-amino-2-[(2-oxopyrrolidin-1-yl)methyl]pyrrolidin-1-yl]-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]acetamide is sourced from PubChem (CID 68646481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).