N-[3-[2-(4-hydroxyoxan-4-yl)-6-(2-oxo-1,3-oxazolidin-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C27H25F3N4O5 — CID 134609666

IUPACN-[3-[2-(4-hydroxyoxan-4-yl)-6-(2-oxo-1,3-oxazolidin-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(N2CCOC2=O)nc(C2(O)CCOCC2)c1
InChIInChI=1S/C27H25F3N4O5/c1-16-2-3-19(32-24(35)17-4-7-31-22(12-17)27(28,29)30)15-20(16)18-13-21(26(37)5-9-38-10-6-26)33-23(14-18)34-8-11-39-25(34)36/h2-4,7,12-15,37H,5-6,8-11H2,1H3,(H,32,35)
InChIKeyJVXVMCHLVVZREG-UHFFFAOYSA-N
MW542.51 g/mol
LogP4.68
Rot. Bonds5

About N-[3-[2-(4-hydroxyoxan-4-yl)-6-(2-oxo-1,3-oxazolidin-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[3-[2-(4-hydroxyoxan-4-yl)-6-(2-oxo-1,3-oxazolidin-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 134609666) has the molecular formula C27H25F3N4O5 and a molecular weight of 542.51 g/mol. Its IUPAC name is N-[3-[2-(4-hydroxyoxan-4-yl)-6-(2-oxo-1,3-oxazolidin-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(4-hydroxyoxan-4-yl)-6-(2-oxo-1,3-oxazolidin-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID134609666
Molecular FormulaC27H25F3N4O5
Molecular Weight542.51 g/mol
Exact Mass542.18
IUPAC NameN-[3-[2-(4-hydroxyoxan-4-yl)-6-(2-oxo-1,3-oxazolidin-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(N2CCOC2=O)nc(C2(O)CCOCC2)c1
InChIInChI=1S/C27H25F3N4O5/c1-16-2-3-19(32-24(35)17-4-7-31-22(12-17)27(28,29)30)15-20(16)18-13-21(26(37)5-9-38-10-6-26)33-23(14-18)34-8-11-39-25(34)36/h2-4,7,12-15,37H,5-6,8-11H2,1H3,(H,32,35)
InChIKeyJVXVMCHLVVZREG-UHFFFAOYSA-N
XLogP4.68
TPSA113.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.51
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-hydroxyoxan-4-yl)-6-(2-oxo-1,3-oxazolidin-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[3-[2-(4-hydroxyoxan-4-yl)-6-(2-oxo-1,3-oxazolidin-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 134609666) is N-[3-[2-(4-hydroxyoxan-4-yl)-6-(2-oxo-1,3-oxazolidin-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[2-(4-hydroxyoxan-4-yl)-6-(2-oxo-1,3-oxazolidin-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[3-[2-(4-hydroxyoxan-4-yl)-6-(2-oxo-1,3-oxazolidin-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(N2CCOC2=O)nc(C2(O)CCOCC2)c1.
What is the InChIKey of N-[3-[2-(4-hydroxyoxan-4-yl)-6-(2-oxo-1,3-oxazolidin-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is JVXVMCHLVVZREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4O5/c1-16-2-3-19(32-24(35)17-4-7-31-22(12-17)27(28,29)30)15-20(16)18-13-21(26(37)5-9-38-10-6-26)33-23(14-18)34-8-11-39-25(34)36/h2-4,7,12-15,37H,5-6,8-11H2,1H3,(H,32,35).
What are the key properties of N-[3-[2-(4-hydroxyoxan-4-yl)-6-(2-oxo-1,3-oxazolidin-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[3-[2-(4-hydroxyoxan-4-yl)-6-(2-oxo-1,3-oxazolidin-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 542.51 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-hydroxyoxan-4-yl)-6-(2-oxo-1,3-oxazolidin-3-yl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 134609666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).