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

C17H19FN4O2 — CID 68646543

IUPAC(3R)-3-(aminomethyl)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1-carboxamide
SMILESNC[C@H]1CCN(C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1
InChIInChI=1S/C17H19FN4O2/c18-14-9-13(22-7-2-1-3-16(22)23)4-5-15(14)20-17(24)21-8-6-12(10-19)11-21/h1-5,7,9,12H,6,8,10-11,19H2,(H,20,24)/t12-/m1/s1
InChIKeyQGFPDTJWZDMUKH-GFCCVEGCSA-N
MW330.36 g/mol
LogP1.79
Rot. Bonds3

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

(3R)-3-(aminomethyl)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 68646543) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is (3R)-3-(aminomethyl)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(aminomethyl)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1-carboxamide
PubChem CID68646543
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name(3R)-3-(aminomethyl)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1-carboxamide
SMILESNC[C@H]1CCN(C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1
InChIInChI=1S/C17H19FN4O2/c18-14-9-13(22-7-2-1-3-16(22)23)4-5-15(14)20-17(24)21-8-6-12(10-19)11-21/h1-5,7,9,12H,6,8,10-11,19H2,(H,20,24)/t12-/m1/s1
InChIKeyQGFPDTJWZDMUKH-GFCCVEGCSA-N
XLogP1.79
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(aminomethyl)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-(aminomethyl)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1-carboxamide (CID 68646543) is (3R)-3-(aminomethyl)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(aminomethyl)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-(aminomethyl)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1-carboxamide is NC[C@H]1CCN(C(=O)Nc2ccc(-n3ccccc3=O)cc2F)C1.
What is the InChIKey of (3R)-3-(aminomethyl)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is QGFPDTJWZDMUKH-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-14-9-13(22-7-2-1-3-16(22)23)4-5-15(14)20-17(24)21-8-6-12(10-19)11-21/h1-5,7,9,12H,6,8,10-11,19H2,(H,20,24)/t12-/m1/s1.
What are the key properties of (3R)-3-(aminomethyl)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1-carboxamide?
(3R)-3-(aminomethyl)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(aminomethyl)-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 68646543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).