2-[(3S,4S)-3-fluoro-4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-methylpyrimidine-4-carboxamide

C21H25FN6O3 — CID 168839029

IUPAC2-[(3S,4S)-3-fluoro-4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-methylpyrimidine-4-carboxamide
SMILESCc1ccc([C@@H]2CCON2C(=O)[C@@H]2CCN(c3ncc(C)c(C(N)=O)n3)C[C@H]2F)cn1
InChIInChI=1S/C21H25FN6O3/c1-12-9-25-21(26-18(12)19(23)29)27-7-5-15(16(22)11-27)20(30)28-17(6-8-31-28)14-4-3-13(2)24-10-14/h3-4,9-10,15-17H,5-8,11H2,1-2H3,(H2,23,29)/t15-,16-,17+/m1/s1
InChIKeyHGMYGXUHODCEMH-ZACQAIPSSA-N
MW428.47 g/mol
LogP1.66
Rot. Bonds4

About 2-[(3S,4S)-3-fluoro-4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-methylpyrimidine-4-carboxamide

2-[(3S,4S)-3-fluoro-4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-methylpyrimidine-4-carboxamide (PubChem CID 168839029) has the molecular formula C21H25FN6O3 and a molecular weight of 428.47 g/mol. Its IUPAC name is 2-[(3S,4S)-3-fluoro-4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(3S,4S)-3-fluoro-4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-methylpyrimidine-4-carboxamide
PubChem CID168839029
Molecular FormulaC21H25FN6O3
Molecular Weight428.47 g/mol
Exact Mass428.20
IUPAC Name2-[(3S,4S)-3-fluoro-4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-methylpyrimidine-4-carboxamide
SMILESCc1ccc([C@@H]2CCON2C(=O)[C@@H]2CCN(c3ncc(C)c(C(N)=O)n3)C[C@H]2F)cn1
InChIInChI=1S/C21H25FN6O3/c1-12-9-25-21(26-18(12)19(23)29)27-7-5-15(16(22)11-27)20(30)28-17(6-8-31-28)14-4-3-13(2)24-10-14/h3-4,9-10,15-17H,5-8,11H2,1-2H3,(H2,23,29)/t15-,16-,17+/m1/s1
InChIKeyHGMYGXUHODCEMH-ZACQAIPSSA-N
XLogP1.66
TPSA114.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-fluoro-6-[4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 162376503
[3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3R,4S)-3-fluoro-1-(5-methylsulfonylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 155250725
6-[(3S,4R)-4-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]-3-fluoropiperidin-1-yl]pyrimidine-4-carboxamide
CID 142613664
[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-[(3S,4R)-3-fluoro-1-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]methanone
CID 155250730
2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide
CID 162376527
[4-[(5-fluoro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone
CID 172581704
[4-[(3,5-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]cyclohexyl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone
CID 172582197
2-[4-[3-(6-amino-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carbonitrile
CID 162376533
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
1-[(3S)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one;1-[(3R)-3-(6-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one
CID 157336429
4-fluoro-1-(6-methyl-3-pyridinyl)piperidin-3-ol
CID 172576145

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-3-fluoro-4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-methylpyrimidine-4-carboxamide?
The IUPAC name of 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) is 2-[(3S,4S)-3-fluoro-4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(3S,4S)-3-fluoro-4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[(3S,4S)-3-fluoro-4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-methylpyrimidine-4-carboxamide is Cc1ccc([C@@H]2CCON2C(=O)[C@@H]2CCN(c3ncc(C)c(C(N)=O)n3)C[C@H]2F)cn1.
What is the InChIKey of 2-[(3S,4S)-3-fluoro-4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-methylpyrimidine-4-carboxamide?
The InChIKey is HGMYGXUHODCEMH-ZACQAIPSSA-N. The full InChI is InChI=1S/C21H25FN6O3/c1-12-9-25-21(26-18(12)19(23)29)27-7-5-15(16(22)11-27)20(30)28-17(6-8-31-28)14-4-3-13(2)24-10-14/h3-4,9-10,15-17H,5-8,11H2,1-2H3,(H2,23,29)/t15-,16-,17+/m1/s1.
What are the key properties of 2-[(3S,4S)-3-fluoro-4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-methylpyrimidine-4-carboxamide?
2-[(3S,4S)-3-fluoro-4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-methylpyrimidine-4-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-3-fluoro-4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 168839029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).