2-methyl-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzonitrile

C29H30N4O3 — CID 69494383

IUPAC2-methyl-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzonitrile
SMILESCc1cc(Oc2ccc(CN3CCC(N4C(=O)OCC4c4ccccc4)CC3)c(C)n2)ccc1C#N
InChIInChI=1S/C29H30N4O3/c1-20-16-26(10-8-23(20)17-30)36-28-11-9-24(21(2)31-28)18-32-14-12-25(13-15-32)33-27(19-35-29(33)34)22-6-4-3-5-7-22/h3-11,16,25,27H,12-15,18-19H2,1-2H3
InChIKeyAXWAUPHGQVAFMN-UHFFFAOYSA-N
MW482.58 g/mol
LogP5.52
Rot. Bonds6

About 2-methyl-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzonitrile

2-methyl-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzonitrile (PubChem CID 69494383) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 2-methyl-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzonitrile.

Molecular Properties

Compound Name2-methyl-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzonitrile
PubChem CID69494383
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name2-methyl-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzonitrile
SMILESCc1cc(Oc2ccc(CN3CCC(N4C(=O)OCC4c4ccccc4)CC3)c(C)n2)ccc1C#N
InChIInChI=1S/C29H30N4O3/c1-20-16-26(10-8-23(20)17-30)36-28-11-9-24(21(2)31-28)18-32-14-12-25(13-15-32)33-27(19-35-29(33)34)22-6-4-3-5-7-22/h3-11,16,25,27H,12-15,18-19H2,1-2H3
InChIKeyAXWAUPHGQVAFMN-UHFFFAOYSA-N
XLogP5.52
TPSA78.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzonitrile?
The IUPAC name of 2-methyl-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzonitrile (CID 69494383) is 2-methyl-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzonitrile.
What is the SMILES notation for 2-methyl-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzonitrile?
The canonical SMILES for 2-methyl-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzonitrile is Cc1cc(Oc2ccc(CN3CCC(N4C(=O)OCC4c4ccccc4)CC3)c(C)n2)ccc1C#N.
What is the InChIKey of 2-methyl-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzonitrile?
The InChIKey is AXWAUPHGQVAFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-20-16-26(10-8-23(20)17-30)36-28-11-9-24(21(2)31-28)18-32-14-12-25(13-15-32)33-27(19-35-29(33)34)22-6-4-3-5-7-22/h3-11,16,25,27H,12-15,18-19H2,1-2H3.
What are the key properties of 2-methyl-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzonitrile?
2-methyl-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzonitrile has a molecular weight of 482.58 g/mol, XLogP of 5.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[6-methyl-5-[[4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidin-1-yl]methyl]-2-pyridinyl]oxy]benzonitrile is sourced from PubChem (CID 69494383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).