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

C20H23FN6O3 — CID 162376503

IUPAC5-fluoro-6-[4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
SMILESCc1ccc([C@@H]2CCON2C(=O)C2CCN(c3ncnc(C(N)=O)c3F)CC2)cn1
InChIInChI=1S/C20H23FN6O3/c1-12-2-3-14(10-23-12)15-6-9-30-27(15)20(29)13-4-7-26(8-5-13)19-16(21)17(18(22)28)24-11-25-19/h2-3,10-11,13,15H,4-9H2,1H3,(H2,22,28)/t15-/m0/s1
InChIKeyJGRDEDYZRUIDBG-HNNXBMFYSA-N
MW414.44 g/mol
LogP1.54
Rot. Bonds4

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

5-fluoro-6-[4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 162376503) has the molecular formula C20H23FN6O3 and a molecular weight of 414.44 g/mol. Its IUPAC name is 5-fluoro-6-[4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-6-[4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
PubChem CID162376503
Molecular FormulaC20H23FN6O3
Molecular Weight414.44 g/mol
Exact Mass414.18
IUPAC Name5-fluoro-6-[4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
SMILESCc1ccc([C@@H]2CCON2C(=O)C2CCN(c3ncnc(C(N)=O)c3F)CC2)cn1
InChIInChI=1S/C20H23FN6O3/c1-12-2-3-14(10-23-12)15-6-9-30-27(15)20(29)13-4-7-26(8-5-13)19-16(21)17(18(22)28)24-11-25-19/h2-3,10-11,13,15H,4-9H2,1H3,(H2,22,28)/t15-/m0/s1
InChIKeyJGRDEDYZRUIDBG-HNNXBMFYSA-N
XLogP1.54
TPSA114.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

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
6-[4-[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 151520551
[4-[(5-fluoro-2-methyl-4-pyridinyl)methyl]cyclohexyl]-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]methanone
CID 172581704
3-fluoro-5-[(3S)-2-[1-(5-fluoro-6-methoxypyrimidin-4-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]benzonitrile
CID 170957536
2-[4-[(3S)-3-(3,5-difluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-1,3-oxazole-5-carboxamide
CID 154697985
6-[4-[(3S)-3-(4-methylfuran-2-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 162376501
2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide
CID 162376527
[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
6-[4-[3-[5-(hydroxymethyl)-3-pyridinyl]-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 162376351
[1-(6-isocyanopyrimidin-4-yl)piperidin-4-yl]-[(3S)-3-(5-methylpyrazin-2-yl)-1,2-oxazolidin-2-yl]methanone
CID 168838981
6-[4-[3-(1-methylpyrazol-3-yl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide
CID 168838992
[(3R)-3-(3,5-difluorophenyl)-1,2-oxazolidin-2-yl]-(1-ethylpiperidin-4-yl)methanone
CID 155250733

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of 5-fluoro-6-[4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide (CID 162376503) is 5-fluoro-6-[4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 5-fluoro-6-[4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 5-fluoro-6-[4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide is Cc1ccc([C@@H]2CCON2C(=O)C2CCN(c3ncnc(C(N)=O)c3F)CC2)cn1.
What is the InChIKey of 5-fluoro-6-[4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is JGRDEDYZRUIDBG-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23FN6O3/c1-12-2-3-14(10-23-12)15-6-9-30-27(15)20(29)13-4-7-26(8-5-13)19-16(21)17(18(22)28)24-11-25-19/h2-3,10-11,13,15H,4-9H2,1H3,(H2,22,28)/t15-/m0/s1.
What are the key properties of 5-fluoro-6-[4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide?
5-fluoro-6-[4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 414.44 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[4-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 162376503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).