(3R)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1,3-dicarboxamide

C17H17FN4O3 — CID 68646542

IUPAC(3R)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1,3-dicarboxamide
SMILESNC(=O)[C@@H]1CCN(C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1
InChIInChI=1S/C17H17FN4O3/c18-13-9-12(22-7-2-1-3-15(22)23)4-5-14(13)20-17(25)21-8-6-11(10-21)16(19)24/h1-5,7,9,11H,6,8,10H2,(H2,19,24)(H,20,25)/t11-/m1/s1
InChIKeyHEANNUFRVFRUQY-LLVKDONJSA-N
MW344.35 g/mol
LogP1.32
Rot. Bonds3

About (3R)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1,3-dicarboxamide

(3R)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1,3-dicarboxamide (PubChem CID 68646542) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is (3R)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1,3-dicarboxamide
PubChem CID68646542
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC Name(3R)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1,3-dicarboxamide
SMILESNC(=O)[C@@H]1CCN(C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1
InChIInChI=1S/C17H17FN4O3/c18-13-9-12(22-7-2-1-3-15(22)23)4-5-14(13)20-17(25)21-8-6-11(10-21)16(19)24/h1-5,7,9,11H,6,8,10H2,(H2,19,24)(H,20,25)/t11-/m1/s1
InChIKeyHEANNUFRVFRUQY-LLVKDONJSA-N
XLogP1.32
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1,3-dicarboxamide (CID 68646542) is (3R)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1,3-dicarboxamide is NC(=O)[C@@H]1CCN(C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1.
What is the InChIKey of (3R)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1,3-dicarboxamide?
The InChIKey is HEANNUFRVFRUQY-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17FN4O3/c18-13-9-12(22-7-2-1-3-15(22)23)4-5-14(13)20-17(25)21-8-6-11(10-21)16(19)24/h1-5,7,9,11H,6,8,10H2,(H2,19,24)(H,20,25)/t11-/m1/s1.
What are the key properties of (3R)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1,3-dicarboxamide?
(3R)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1,3-dicarboxamide has a molecular weight of 344.35 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 68646542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).