3-(4-acetamidopiperidin-1-yl)-N-[4-methyl-3-[7-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]phenyl]-5-(trifluoromethyl)benzamide

C37H41F3N6O4 — CID 59212490

IUPAC3-(4-acetamidopiperidin-1-yl)-N-[4-methyl-3-[7-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]phenyl]-5-(trifluoromethyl)benzamide
SMILESCC(=O)NC1CCN(c2cc(C(=O)Nc3ccc(C)c(-c4cc5cnc(C)cc5n(CCN5CCOCC5)c4=O)c3)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C37H41F3N6O4/c1-23-4-5-30(43-35(48)26-17-28(37(38,39)40)20-31(18-26)45-8-6-29(7-9-45)42-25(3)47)21-32(23)33-19-27-22-41-24(2)16-34(27)46(36(33)49)11-10-44-12-14-50-15-13-44/h4-5,16-22,29H,6-15H2,1-3H3,(H,42,47)(H,43,48)
InChIKeyRGCIEBZNXFVVEB-UHFFFAOYSA-N
MW690.77 g/mol
LogP5.39
Rot. Bonds8

About 3-(4-acetamidopiperidin-1-yl)-N-[4-methyl-3-[7-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]phenyl]-5-(trifluoromethyl)benzamide

3-(4-acetamidopiperidin-1-yl)-N-[4-methyl-3-[7-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]phenyl]-5-(trifluoromethyl)benzamide (PubChem CID 59212490) has the molecular formula C37H41F3N6O4 and a molecular weight of 690.77 g/mol. Its IUPAC name is 3-(4-acetamidopiperidin-1-yl)-N-[4-methyl-3-[7-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]phenyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(4-acetamidopiperidin-1-yl)-N-[4-methyl-3-[7-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]phenyl]-5-(trifluoromethyl)benzamide
PubChem CID59212490
Molecular FormulaC37H41F3N6O4
Molecular Weight690.77 g/mol
Exact Mass690.31
IUPAC Name3-(4-acetamidopiperidin-1-yl)-N-[4-methyl-3-[7-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]phenyl]-5-(trifluoromethyl)benzamide
SMILESCC(=O)NC1CCN(c2cc(C(=O)Nc3ccc(C)c(-c4cc5cnc(C)cc5n(CCN5CCOCC5)c4=O)c3)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C37H41F3N6O4/c1-23-4-5-30(43-35(48)26-17-28(37(38,39)40)20-31(18-26)45-8-6-29(7-9-45)42-25(3)47)21-32(23)33-19-27-22-41-24(2)16-34(27)46(36(33)49)11-10-44-12-14-50-15-13-44/h4-5,16-22,29H,6-15H2,1-3H3,(H,42,47)(H,43,48)
InChIKeyRGCIEBZNXFVVEB-UHFFFAOYSA-N
XLogP5.39
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.77
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidopiperidin-1-yl)-N-[4-methyl-3-[7-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]phenyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-(4-acetamidopiperidin-1-yl)-N-[4-methyl-3-[7-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]phenyl]-5-(trifluoromethyl)benzamide (CID 59212490) is 3-(4-acetamidopiperidin-1-yl)-N-[4-methyl-3-[7-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]phenyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(4-acetamidopiperidin-1-yl)-N-[4-methyl-3-[7-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]phenyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(4-acetamidopiperidin-1-yl)-N-[4-methyl-3-[7-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]phenyl]-5-(trifluoromethyl)benzamide is CC(=O)NC1CCN(c2cc(C(=O)Nc3ccc(C)c(-c4cc5cnc(C)cc5n(CCN5CCOCC5)c4=O)c3)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 3-(4-acetamidopiperidin-1-yl)-N-[4-methyl-3-[7-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]phenyl]-5-(trifluoromethyl)benzamide?
The InChIKey is RGCIEBZNXFVVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H41F3N6O4/c1-23-4-5-30(43-35(48)26-17-28(37(38,39)40)20-31(18-26)45-8-6-29(7-9-45)42-25(3)47)21-32(23)33-19-27-22-41-24(2)16-34(27)46(36(33)49)11-10-44-12-14-50-15-13-44/h4-5,16-22,29H,6-15H2,1-3H3,(H,42,47)(H,43,48).
What are the key properties of 3-(4-acetamidopiperidin-1-yl)-N-[4-methyl-3-[7-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]phenyl]-5-(trifluoromethyl)benzamide?
3-(4-acetamidopiperidin-1-yl)-N-[4-methyl-3-[7-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]phenyl]-5-(trifluoromethyl)benzamide has a molecular weight of 690.77 g/mol, XLogP of 5.39, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidopiperidin-1-yl)-N-[4-methyl-3-[7-methyl-1-(2-morpholin-4-ylethyl)-2-oxo-1,6-naphthyridin-3-yl]phenyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 59212490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).