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

C20H20FN7O3 — CID 162376243

IUPAC2-[(3S,4S)-4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-3-fluoropiperidin-1-yl]pyrimidine-4-carboxamide
SMILESN#Cc1cncc([C@@H]2CCON2C(=O)[C@@H]2CCN(c3nccc(C(N)=O)n3)C[C@H]2F)c1
InChIInChI=1S/C20H20FN7O3/c21-15-11-27(20-25-4-1-16(26-20)18(23)29)5-2-14(15)19(30)28-17(3-6-31-28)13-7-12(8-22)9-24-10-13/h1,4,7,9-10,14-15,17H,2-3,5-6,11H2,(H2,23,29)/t14-,15-,17+/m1/s1
InChIKeyIUZMCNZPQWUNEU-INMHGKMJSA-N
MW425.42 g/mol
LogP0.91
Rot. Bonds4

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

2-[(3S,4S)-4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-3-fluoropiperidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 162376243) has the molecular formula C20H20FN7O3 and a molecular weight of 425.42 g/mol. Its IUPAC name is 2-[(3S,4S)-4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-3-fluoropiperidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(3S,4S)-4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-3-fluoropiperidin-1-yl]pyrimidine-4-carboxamide
PubChem CID162376243
Molecular FormulaC20H20FN7O3
Molecular Weight425.42 g/mol
Exact Mass425.16
IUPAC Name2-[(3S,4S)-4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-3-fluoropiperidin-1-yl]pyrimidine-4-carboxamide
SMILESN#Cc1cncc([C@@H]2CCON2C(=O)[C@@H]2CCN(c3nccc(C(N)=O)n3)C[C@H]2F)c1
InChIInChI=1S/C20H20FN7O3/c21-15-11-27(20-25-4-1-16(26-20)18(23)29)5-2-14(15)19(30)28-17(3-6-31-28)13-7-12(8-22)9-24-10-13/h1,4,7,9-10,14-15,17H,2-3,5-6,11H2,(H2,23,29)/t14-,15-,17+/m1/s1
InChIKeyIUZMCNZPQWUNEU-INMHGKMJSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(3S,4S)-4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-3-fluoropiperidin-1-yl]pyrimidine-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

5-[(3S)-2-[1-(4-formylpyrimidin-2-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 170001085
2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide
CID 162376527
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
2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-2,3,5-trifluoropiperidin-1-yl]pyrimidine-4-carbonitrile
CID 175447817
methyl 2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-4-methylpiperidin-1-yl]pyrimidine-4-carboxylate
CID 162376386
5-[(3S)-2-[1-(6-oxo-1H-pyrimidin-2-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 162376315
2-[(3S,4S)-3-fluoro-4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-methylpyrimidine-4-carboxamide
CID 168839029
6-[(3S,4R)-4-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]-3-fluoropiperidin-1-yl]pyrimidine-4-carboxamide
CID 142613664
5-[(3S)-2-(piperidine-4-carbonyl)-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 162376340
5-[(3S)-2-[4-(hydroxymethyl)cyclohexanecarbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 172582773
[3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3R,4S)-3-fluoro-1-(5-methylsulfonylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 155250725
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-[(3S,4S)-4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-3-fluoropiperidin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-[(3S,4S)-4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-3-fluoropiperidin-1-yl]pyrimidine-4-carboxamide (CID 162376243) is 2-[(3S,4S)-4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-3-fluoropiperidin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(3S,4S)-4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-3-fluoropiperidin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-[(3S,4S)-4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-3-fluoropiperidin-1-yl]pyrimidine-4-carboxamide is N#Cc1cncc([C@@H]2CCON2C(=O)[C@@H]2CCN(c3nccc(C(N)=O)n3)C[C@H]2F)c1.
What is the InChIKey of 2-[(3S,4S)-4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-3-fluoropiperidin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is IUZMCNZPQWUNEU-INMHGKMJSA-N. The full InChI is InChI=1S/C20H20FN7O3/c21-15-11-27(20-25-4-1-16(26-20)18(23)29)5-2-14(15)19(30)28-17(3-6-31-28)13-7-12(8-22)9-24-10-13/h1,4,7,9-10,14-15,17H,2-3,5-6,11H2,(H2,23,29)/t14-,15-,17+/m1/s1.
What are the key properties of 2-[(3S,4S)-4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-3-fluoropiperidin-1-yl]pyrimidine-4-carboxamide?
2-[(3S,4S)-4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-3-fluoropiperidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 425.42 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-3-fluoropiperidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 162376243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).