(2S,4R)-4-fluoro-1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide

C13H13FN4O2 — CID 120928807

IUPAC(2S,4R)-4-fluoro-1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](F)CN1c1cc(=O)n2ccccc2n1
InChIInChI=1S/C13H13FN4O2/c14-8-5-9(13(15)20)18(7-8)11-6-12(19)17-4-2-1-3-10(17)16-11/h1-4,6,8-9H,5,7H2,(H2,15,20)/t8-,9+/m1/s1
InChIKeyCEADKLMHEPZUQH-BDAKNGLRSA-N
MW276.27 g/mol
LogP0.10
Rot. Bonds2

About (2S,4R)-4-fluoro-1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide

(2S,4R)-4-fluoro-1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide (PubChem CID 120928807) has the molecular formula C13H13FN4O2 and a molecular weight of 276.27 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide
PubChem CID120928807
Molecular FormulaC13H13FN4O2
Molecular Weight276.27 g/mol
Exact Mass276.10
IUPAC Name(2S,4R)-4-fluoro-1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1C[C@@H](F)CN1c1cc(=O)n2ccccc2n1
InChIInChI=1S/C13H13FN4O2/c14-8-5-9(13(15)20)18(7-8)11-6-12(19)17-4-2-1-3-10(17)16-11/h1-4,6,8-9H,5,7H2,(H2,15,20)/t8-,9+/m1/s1
InChIKeyCEADKLMHEPZUQH-BDAKNGLRSA-N
XLogP0.10
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-fluoro-1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide (CID 120928807) is (2S,4R)-4-fluoro-1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-fluoro-1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-fluoro-1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide is NC(=O)[C@@H]1C[C@@H](F)CN1c1cc(=O)n2ccccc2n1.
What is the InChIKey of (2S,4R)-4-fluoro-1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is CEADKLMHEPZUQH-BDAKNGLRSA-N. The full InChI is InChI=1S/C13H13FN4O2/c14-8-5-9(13(15)20)18(7-8)11-6-12(19)17-4-2-1-3-10(17)16-11/h1-4,6,8-9H,5,7H2,(H2,15,20)/t8-,9+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide?
(2S,4R)-4-fluoro-1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 276.27 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 120928807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).