2-[4-[(3S)-3-(6-cyanopyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide

C19H19FN8O3 — CID 168839023

IUPAC2-[4-[(3S)-3-(6-cyanopyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide
SMILESN#Cc1cncc([C@@H]2CCON2C(=O)C2CCN(c3ncc(F)c(C(N)=O)n3)CC2)n1
InChIInChI=1S/C19H19FN8O3/c20-13-9-24-19(26-16(13)17(22)29)27-4-1-11(2-5-27)18(30)28-15(3-6-31-28)14-10-23-8-12(7-21)25-14/h8-11,15H,1-6H2,(H2,22,29)/t15-/m0/s1
InChIKeyJEBJCTNESHUUAS-HNNXBMFYSA-N
MW426.41 g/mol
LogP0.50
Rot. Bonds4

About 2-[4-[(3S)-3-(6-cyanopyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide

2-[4-[(3S)-3-(6-cyanopyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide (PubChem CID 168839023) has the molecular formula C19H19FN8O3 and a molecular weight of 426.41 g/mol. Its IUPAC name is 2-[4-[(3S)-3-(6-cyanopyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(3S)-3-(6-cyanopyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide
PubChem CID168839023
Molecular FormulaC19H19FN8O3
Molecular Weight426.41 g/mol
Exact Mass426.16
IUPAC Name2-[4-[(3S)-3-(6-cyanopyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide
SMILESN#Cc1cncc([C@@H]2CCON2C(=O)C2CCN(c3ncc(F)c(C(N)=O)n3)CC2)n1
InChIInChI=1S/C19H19FN8O3/c20-13-9-24-19(26-16(13)17(22)29)27-4-1-11(2-5-27)18(30)28-15(3-6-31-28)14-10-23-8-12(7-21)25-14/h8-11,15H,1-6H2,(H2,22,29)/t15-/m0/s1
InChIKeyJEBJCTNESHUUAS-HNNXBMFYSA-N
XLogP0.50
TPSA151.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.41
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S)-3-(6-cyanopyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide?
The IUPAC name of 2-[4-[(3S)-3-(6-cyanopyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide (CID 168839023) is 2-[4-[(3S)-3-(6-cyanopyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide.
What is the SMILES notation for 2-[4-[(3S)-3-(6-cyanopyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide?
The canonical SMILES for 2-[4-[(3S)-3-(6-cyanopyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide is N#Cc1cncc([C@@H]2CCON2C(=O)C2CCN(c3ncc(F)c(C(N)=O)n3)CC2)n1.
What is the InChIKey of 2-[4-[(3S)-3-(6-cyanopyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide?
The InChIKey is JEBJCTNESHUUAS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H19FN8O3/c20-13-9-24-19(26-16(13)17(22)29)27-4-1-11(2-5-27)18(30)28-15(3-6-31-28)14-10-23-8-12(7-21)25-14/h8-11,15H,1-6H2,(H2,22,29)/t15-/m0/s1.
What are the key properties of 2-[4-[(3S)-3-(6-cyanopyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide?
2-[4-[(3S)-3-(6-cyanopyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide has a molecular weight of 426.41 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S)-3-(6-cyanopyrazin-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide is sourced from PubChem (CID 168839023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).