methyl 2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-4-methylpiperidin-1-yl]pyrimidine-4-carboxylate

C22H24N6O4 — CID 162376386

IUPACmethyl 2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-4-methylpiperidin-1-yl]pyrimidine-4-carboxylate
SMILESCOC(=O)c1ccnc(N2CCC(C)(C(=O)N3OCC[C@H]3c3cncc(C#N)c3)CC2)n1
InChIInChI=1S/C22H24N6O4/c1-22(5-8-27(9-6-22)21-25-7-3-17(26-21)19(29)31-2)20(30)28-18(4-10-32-28)16-11-15(12-23)13-24-14-16/h3,7,11,13-14,18H,4-6,8-10H2,1-2H3/t18-/m0/s1
InChIKeyOJCUVWCWMDBPSL-SFHVURJKSA-N
MW436.47 g/mol
LogP2.04
Rot. Bonds4

About methyl 2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-4-methylpiperidin-1-yl]pyrimidine-4-carboxylate

methyl 2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-4-methylpiperidin-1-yl]pyrimidine-4-carboxylate (PubChem CID 162376386) has the molecular formula C22H24N6O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is methyl 2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-4-methylpiperidin-1-yl]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-4-methylpiperidin-1-yl]pyrimidine-4-carboxylate
PubChem CID162376386
Molecular FormulaC22H24N6O4
Molecular Weight436.47 g/mol
Exact Mass436.19
IUPAC Namemethyl 2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-4-methylpiperidin-1-yl]pyrimidine-4-carboxylate
SMILESCOC(=O)c1ccnc(N2CCC(C)(C(=O)N3OCC[C@H]3c3cncc(C#N)c3)CC2)n1
InChIInChI=1S/C22H24N6O4/c1-22(5-8-27(9-6-22)21-25-7-3-17(26-21)19(29)31-2)20(30)28-18(4-10-32-28)16-11-15(12-23)13-24-14-16/h3,7,11,13-14,18H,4-6,8-10H2,1-2H3/t18-/m0/s1
InChIKeyOJCUVWCWMDBPSL-SFHVURJKSA-N
XLogP2.04
TPSA121.54 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze methyl 2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-4-methylpiperidin-1-yl]pyrimidine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

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-[(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-(4-formylpyrimidin-2-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 170001085
5-[(3S)-2-[1-(6-oxo-1H-pyrimidin-2-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 162376315
2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidin-1-yl]-5-fluoropyrimidine-4-carboxamide
CID 162376527
5-[(3S)-2-(piperidine-4-carbonyl)-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 162376340
2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-2,3,5-trifluoropiperidin-1-yl]pyrimidine-4-carbonitrile
CID 175447817
[(3S)-3-(5-isocyano-3-pyridinyl)-1,2-oxazolidin-2-yl]-[3,3,4-trifluoro-1-(4-isocyanopyrimidin-2-yl)piperidin-4-yl]methanone
CID 168838991
tert-butyl 4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidine-1-carboxylate
CID 162376389
methyl 2-piperazin-1-ylpyrimidine-4-carboxylate
CID 131596703
5-[(3S)-2-[4-(hydroxymethyl)cyclohexanecarbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 172582773
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 methyl 2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-4-methylpiperidin-1-yl]pyrimidine-4-carboxylate?
The IUPAC name of methyl 2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-4-methylpiperidin-1-yl]pyrimidine-4-carboxylate (CID 162376386) is methyl 2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-4-methylpiperidin-1-yl]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-4-methylpiperidin-1-yl]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-4-methylpiperidin-1-yl]pyrimidine-4-carboxylate is COC(=O)c1ccnc(N2CCC(C)(C(=O)N3OCC[C@H]3c3cncc(C#N)c3)CC2)n1.
What is the InChIKey of methyl 2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-4-methylpiperidin-1-yl]pyrimidine-4-carboxylate?
The InChIKey is OJCUVWCWMDBPSL-SFHVURJKSA-N. The full InChI is InChI=1S/C22H24N6O4/c1-22(5-8-27(9-6-22)21-25-7-3-17(26-21)19(29)31-2)20(30)28-18(4-10-32-28)16-11-15(12-23)13-24-14-16/h3,7,11,13-14,18H,4-6,8-10H2,1-2H3/t18-/m0/s1.
What are the key properties of methyl 2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-4-methylpiperidin-1-yl]pyrimidine-4-carboxylate?
methyl 2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-4-methylpiperidin-1-yl]pyrimidine-4-carboxylate has a molecular weight of 436.47 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]-4-methylpiperidin-1-yl]pyrimidine-4-carboxylate is sourced from PubChem (CID 162376386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).