6-cyano-3-[1-[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]ethylamino]pyridine-2-carboxylic acid;toluene

C25H25N5O4 — CID 176710412

IUPAC6-cyano-3-[1-[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]ethylamino]pyridine-2-carboxylic acid;toluene
SMILESCc1cc(C(C)Nc2ccc(C#N)nc2C(=O)O)nc(N2CCOC2=O)c1.Cc1ccccc1
InChIInChI=1S/C18H17N5O4.C7H8/c1-10-7-14(22-15(8-10)23-5-6-27-18(23)26)11(2)20-13-4-3-12(9-19)21-16(13)17(24)25;1-7-5-3-2-4-6-7/h3-4,7-8,11,20H,5-6H2,1-2H3,(H,24,25);2-6H,1H3
InChIKeyJDCBMJHRJFTZIW-UHFFFAOYSA-N
MW459.51 g/mol
LogP4.48
Rot. Bonds5

About 6-cyano-3-[1-[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]ethylamino]pyridine-2-carboxylic acid;toluene

6-cyano-3-[1-[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]ethylamino]pyridine-2-carboxylic acid;toluene (PubChem CID 176710412) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is 6-cyano-3-[1-[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]ethylamino]pyridine-2-carboxylic acid;toluene.

Molecular Properties

Compound Name6-cyano-3-[1-[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]ethylamino]pyridine-2-carboxylic acid;toluene
PubChem CID176710412
Molecular FormulaC25H25N5O4
Molecular Weight459.51 g/mol
Exact Mass459.19
IUPAC Name6-cyano-3-[1-[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]ethylamino]pyridine-2-carboxylic acid;toluene
SMILESCc1cc(C(C)Nc2ccc(C#N)nc2C(=O)O)nc(N2CCOC2=O)c1.Cc1ccccc1
InChIInChI=1S/C18H17N5O4.C7H8/c1-10-7-14(22-15(8-10)23-5-6-27-18(23)26)11(2)20-13-4-3-12(9-19)21-16(13)17(24)25;1-7-5-3-2-4-6-7/h3-4,7-8,11,20H,5-6H2,1-2H3,(H,24,25);2-6H,1H3
InChIKeyJDCBMJHRJFTZIW-UHFFFAOYSA-N
XLogP4.48
TPSA128.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyano-3-[1-[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]ethylamino]pyridine-2-carboxylic acid;toluene?
The IUPAC name of 6-cyano-3-[1-[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]ethylamino]pyridine-2-carboxylic acid;toluene (CID 176710412) is 6-cyano-3-[1-[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]ethylamino]pyridine-2-carboxylic acid;toluene.
What is the SMILES notation for 6-cyano-3-[1-[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]ethylamino]pyridine-2-carboxylic acid;toluene?
The canonical SMILES for 6-cyano-3-[1-[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]ethylamino]pyridine-2-carboxylic acid;toluene is Cc1cc(C(C)Nc2ccc(C#N)nc2C(=O)O)nc(N2CCOC2=O)c1.Cc1ccccc1.
What is the InChIKey of 6-cyano-3-[1-[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]ethylamino]pyridine-2-carboxylic acid;toluene?
The InChIKey is JDCBMJHRJFTZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O4.C7H8/c1-10-7-14(22-15(8-10)23-5-6-27-18(23)26)11(2)20-13-4-3-12(9-19)21-16(13)17(24)25;1-7-5-3-2-4-6-7/h3-4,7-8,11,20H,5-6H2,1-2H3,(H,24,25);2-6H,1H3.
What are the key properties of 6-cyano-3-[1-[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]ethylamino]pyridine-2-carboxylic acid;toluene?
6-cyano-3-[1-[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]ethylamino]pyridine-2-carboxylic acid;toluene has a molecular weight of 459.51 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-3-[1-[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]ethylamino]pyridine-2-carboxylic acid;toluene is sourced from PubChem (CID 176710412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).