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

C20H20FN7O3 — CID 162376527

IUPAC2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-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)c1
InChIInChI=1S/C20H20FN7O3/c21-15-11-25-20(26-17(15)18(23)29)27-4-1-13(2-5-27)19(30)28-16(3-6-31-28)14-7-12(8-22)9-24-10-14/h7,9-11,13,16H,1-6H2,(H2,23,29)/t16-/m0/s1
InChIKeyIRMSVFMSPUMJSZ-INIZCTEOSA-N
MW425.42 g/mol
LogP1.10
Rot. Bonds4

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

2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide (PubChem CID 162376527) has the molecular formula C20H20FN7O3 and a molecular weight of 425.42 g/mol. Its IUPAC name is 2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide
PubChem CID162376527
Molecular FormulaC20H20FN7O3
Molecular Weight425.42 g/mol
Exact Mass425.16
IUPAC Name2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-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)c1
InChIInChI=1S/C20H20FN7O3/c21-15-11-25-20(26-17(15)18(23)29)27-4-1-13(2-5-27)19(30)28-16(3-6-31-28)14-7-12(8-22)9-24-10-14/h7,9-11,13,16H,1-6H2,(H2,23,29)/t16-/m0/s1
InChIKeyIRMSVFMSPUMJSZ-INIZCTEOSA-N
XLogP1.10
TPSA138.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(3S)-3-(2-cyano-1,3-thiazol-4-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide
CID 162376466
5-[(3S)-2-[1-(4-formylpyrimidin-2-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 170001085
6-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxylic acid;2,2,2-trifluoroacetic acid
CID 175931809
5-[(3S)-2-(piperidine-4-carbonyl)-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 162376340
2-[(3S,4S)-4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-3-fluoropiperidin-1-yl]pyrimidine-4-carboxamide
CID 162376243
5-[(3S)-2-[1-(6-oxo-1H-pyrimidin-2-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 162376315
5-[(3S)-2-[4-(hydroxymethyl)cyclohexanecarbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 172582773
ethyl 3-[[2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonyl]amino]azetidine-1-carboxylate
CID 162376600
3-[5-fluoro-2-[4-[(3S)-3-(5-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 172581520
5-[5-fluoro-2-[4-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-4-one
CID 172581446
tert-butyl 4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidine-1-carboxylate
CID 162376389
3-fluoro-5-[2-[1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)pyrimidin-2-yl]piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]benzonitrile
CID 170776244

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide?
The IUPAC name of 2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide (CID 162376527) is 2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide.
What is the SMILES notation for 2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide?
The canonical SMILES for 2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-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)c1.
What is the InChIKey of 2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide?
The InChIKey is IRMSVFMSPUMJSZ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H20FN7O3/c21-15-11-25-20(26-17(15)18(23)29)27-4-1-13(2-5-27)19(30)28-16(3-6-31-28)14-7-12(8-22)9-24-10-14/h7,9-11,13,16H,1-6H2,(H2,23,29)/t16-/m0/s1.
What are the key properties of 2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide?
2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide has a molecular weight of 425.42 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide is sourced from PubChem (CID 162376527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).