5-[(3S)-2-(4-methylpiperidine-4-carbonyl)-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile

C16H20N4O2 — CID 162376329

IUPAC5-[(3S)-2-(4-methylpiperidine-4-carbonyl)-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
SMILESCC1(C(=O)N2OCC[C@H]2c2cncc(C#N)c2)CCNCC1
InChIInChI=1S/C16H20N4O2/c1-16(3-5-18-6-4-16)15(21)20-14(2-7-22-20)13-8-12(9-17)10-19-11-13/h8,10-11,14,18H,2-7H2,1H3/t14-/m0/s1
InChIKeyGRXKVWJSXHJCCD-AWEZNQCLSA-N
MW300.36 g/mol
LogP1.55
Rot. Bonds2

About 5-[(3S)-2-(4-methylpiperidine-4-carbonyl)-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile

5-[(3S)-2-(4-methylpiperidine-4-carbonyl)-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile (PubChem CID 162376329) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-[(3S)-2-(4-methylpiperidine-4-carbonyl)-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[(3S)-2-(4-methylpiperidine-4-carbonyl)-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
PubChem CID162376329
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name5-[(3S)-2-(4-methylpiperidine-4-carbonyl)-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
SMILESCC1(C(=O)N2OCC[C@H]2c2cncc(C#N)c2)CCNCC1
InChIInChI=1S/C16H20N4O2/c1-16(3-5-18-6-4-16)15(21)20-14(2-7-22-20)13-8-12(9-17)10-19-11-13/h8,10-11,14,18H,2-7H2,1H3/t14-/m0/s1
InChIKeyGRXKVWJSXHJCCD-AWEZNQCLSA-N
XLogP1.55
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3S)-2-(piperidine-4-carbonyl)-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 162376340
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-[4-(hydroxymethyl)cyclohexanecarbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 172582773
[(3S)-3-(5-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]-piperidin-4-ylmethanone
CID 172581383
tert-butyl 4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidine-1-carboxylate
CID 162376389
5-[(3S)-2-[1-(6-oxo-1H-pyrimidin-2-yl)piperidine-4-carbonyl]-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile
CID 162376315
tert-butyl (3R)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carboxylate;5-[(3R)-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 175877325
[4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]cyclohexyl]methyl 4-nitrobenzenesulfonate
CID 172582981
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
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
4-[(3S)-2-(piperidine-4-carbonyl)-1,2-oxazolidin-3-yl]furan-2-carbonitrile
CID 162376566

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-2-(4-methylpiperidine-4-carbonyl)-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-[(3S)-2-(4-methylpiperidine-4-carbonyl)-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile (CID 162376329) is 5-[(3S)-2-(4-methylpiperidine-4-carbonyl)-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[(3S)-2-(4-methylpiperidine-4-carbonyl)-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[(3S)-2-(4-methylpiperidine-4-carbonyl)-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile is CC1(C(=O)N2OCC[C@H]2c2cncc(C#N)c2)CCNCC1.
What is the InChIKey of 5-[(3S)-2-(4-methylpiperidine-4-carbonyl)-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile?
The InChIKey is GRXKVWJSXHJCCD-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-16(3-5-18-6-4-16)15(21)20-14(2-7-22-20)13-8-12(9-17)10-19-11-13/h8,10-11,14,18H,2-7H2,1H3/t14-/m0/s1.
What are the key properties of 5-[(3S)-2-(4-methylpiperidine-4-carbonyl)-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile?
5-[(3S)-2-(4-methylpiperidine-4-carbonyl)-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile has a molecular weight of 300.36 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-2-(4-methylpiperidine-4-carbonyl)-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 162376329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).