(2R)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]pyrrolidine-2-carboxamide

C12H14F3N3O2 — CID 146323396

IUPAC(2R)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CC(F)F)c1)[C@H]1CCCN1
InChIInChI=1S/C12H14F3N3O2/c13-8-4-7(5-18(12(8)20)6-10(14)15)17-11(19)9-2-1-3-16-9/h4-5,9-10,16H,1-3,6H2,(H,17,19)/t9-/m1/s1
InChIKeyABSWXPGHMZHRBY-SECBINFHSA-N
MW289.26 g/mol
LogP0.94
Rot. Bonds4

About (2R)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]pyrrolidine-2-carboxamide

(2R)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 146323396) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is (2R)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]pyrrolidine-2-carboxamide
PubChem CID146323396
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name(2R)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(F)c(=O)n(CC(F)F)c1)[C@H]1CCCN1
InChIInChI=1S/C12H14F3N3O2/c13-8-4-7(5-18(12(8)20)6-10(14)15)17-11(19)9-2-1-3-16-9/h4-5,9-10,16H,1-3,6H2,(H,17,19)/t9-/m1/s1
InChIKeyABSWXPGHMZHRBY-SECBINFHSA-N
XLogP0.94
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]pyrrolidine-2-carboxamide (CID 146323396) is (2R)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]pyrrolidine-2-carboxamide is O=C(Nc1cc(F)c(=O)n(CC(F)F)c1)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]pyrrolidine-2-carboxamide?
The InChIKey is ABSWXPGHMZHRBY-SECBINFHSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c13-8-4-7(5-18(12(8)20)6-10(14)15)17-11(19)9-2-1-3-16-9/h4-5,9-10,16H,1-3,6H2,(H,17,19)/t9-/m1/s1.
What are the key properties of (2R)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]pyrrolidine-2-carboxamide?
(2R)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]pyrrolidine-2-carboxamide has a molecular weight of 289.26 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 146323396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).