2-[4-[3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide

C19H21FN6O3 — CID 162376270

IUPAC2-[4-[3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCC(C(=O)N3OCCC3c3cncc(F)c3)CC2)n1
InChIInChI=1S/C19H21FN6O3/c20-14-9-13(10-22-11-14)16-4-8-29-26(16)18(28)12-2-6-25(7-3-12)19-23-5-1-15(24-19)17(21)27/h1,5,9-12,16H,2-4,6-8H2,(H2,21,27)
InChIKeyAUTVTARNFDWBQT-UHFFFAOYSA-N
MW400.41 g/mol
LogP1.23
Rot. Bonds4

About 2-[4-[3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide

2-[4-[3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 162376270) has the molecular formula C19H21FN6O3 and a molecular weight of 400.41 g/mol. Its IUPAC name is 2-[4-[3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
PubChem CID162376270
Molecular FormulaC19H21FN6O3
Molecular Weight400.41 g/mol
Exact Mass400.17
IUPAC Name2-[4-[3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCC(C(=O)N3OCCC3c3cncc(F)c3)CC2)n1
InChIInChI=1S/C19H21FN6O3/c20-14-9-13(10-22-11-14)16-4-8-29-26(16)18(28)12-2-6-25(7-3-12)19-23-5-1-15(24-19)17(21)27/h1,5,9-12,16H,2-4,6-8H2,(H2,21,27)
InChIKeyAUTVTARNFDWBQT-UHFFFAOYSA-N
XLogP1.23
TPSA114.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-[4-[3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide (CID 162376270) is 2-[4-[3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[4-[3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-[4-[3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide is NC(=O)c1ccnc(N2CCC(C(=O)N3OCCC3c3cncc(F)c3)CC2)n1.
What is the InChIKey of 2-[4-[3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is AUTVTARNFDWBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O3/c20-14-9-13(10-22-11-14)16-4-8-29-26(16)18(28)12-2-6-25(7-3-12)19-23-5-1-15(24-19)17(21)27/h1,5,9-12,16H,2-4,6-8H2,(H2,21,27).
What are the key properties of 2-[4-[3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
2-[4-[3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 400.41 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 162376270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).