N-[6-methyl-5-[6-(oxan-4-yloxy)-5-(3-oxomorpholin-4-yl)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide

C28H27F3N4O5 — CID 90456718

IUPACN-[6-methyl-5-[6-(oxan-4-yloxy)-5-(3-oxomorpholin-4-yl)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC2CCOCC2)c(N2CCOCC2=O)c1
InChIInChI=1S/C28H27F3N4O5/c1-17-23(13-21(15-32-17)34-26(37)18-3-2-4-20(11-18)28(29,30)31)19-12-24(35-7-10-39-16-25(35)36)27(33-14-19)40-22-5-8-38-9-6-22/h2-4,11-15,22H,5-10,16H2,1H3,(H,34,37)
InChIKeyQMONQMQMEHCYRF-UHFFFAOYSA-N
MW556.54 g/mol
LogP4.64
Rot. Bonds6

About N-[6-methyl-5-[6-(oxan-4-yloxy)-5-(3-oxomorpholin-4-yl)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[6-methyl-5-[6-(oxan-4-yloxy)-5-(3-oxomorpholin-4-yl)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 90456718) has the molecular formula C28H27F3N4O5 and a molecular weight of 556.54 g/mol. Its IUPAC name is N-[6-methyl-5-[6-(oxan-4-yloxy)-5-(3-oxomorpholin-4-yl)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-methyl-5-[6-(oxan-4-yloxy)-5-(3-oxomorpholin-4-yl)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID90456718
Molecular FormulaC28H27F3N4O5
Molecular Weight556.54 g/mol
Exact Mass556.19
IUPAC NameN-[6-methyl-5-[6-(oxan-4-yloxy)-5-(3-oxomorpholin-4-yl)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC2CCOCC2)c(N2CCOCC2=O)c1
InChIInChI=1S/C28H27F3N4O5/c1-17-23(13-21(15-32-17)34-26(37)18-3-2-4-20(11-18)28(29,30)31)19-12-24(35-7-10-39-16-25(35)36)27(33-14-19)40-22-5-8-38-9-6-22/h2-4,11-15,22H,5-10,16H2,1H3,(H,34,37)
InChIKeyQMONQMQMEHCYRF-UHFFFAOYSA-N
XLogP4.64
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.54
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-5-[6-(oxan-4-yloxy)-5-(3-oxomorpholin-4-yl)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-methyl-5-[6-(oxan-4-yloxy)-5-(3-oxomorpholin-4-yl)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 90456718) is N-[6-methyl-5-[6-(oxan-4-yloxy)-5-(3-oxomorpholin-4-yl)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-methyl-5-[6-(oxan-4-yloxy)-5-(3-oxomorpholin-4-yl)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-methyl-5-[6-(oxan-4-yloxy)-5-(3-oxomorpholin-4-yl)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC2CCOCC2)c(N2CCOCC2=O)c1.
What is the InChIKey of N-[6-methyl-5-[6-(oxan-4-yloxy)-5-(3-oxomorpholin-4-yl)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is QMONQMQMEHCYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N4O5/c1-17-23(13-21(15-32-17)34-26(37)18-3-2-4-20(11-18)28(29,30)31)19-12-24(35-7-10-39-16-25(35)36)27(33-14-19)40-22-5-8-38-9-6-22/h2-4,11-15,22H,5-10,16H2,1H3,(H,34,37).
What are the key properties of N-[6-methyl-5-[6-(oxan-4-yloxy)-5-(3-oxomorpholin-4-yl)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[6-methyl-5-[6-(oxan-4-yloxy)-5-(3-oxomorpholin-4-yl)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 556.54 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-5-[6-(oxan-4-yloxy)-5-(3-oxomorpholin-4-yl)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90456718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).