6-methoxy-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]-1,5-naphthyridine-4-carboxamide

C26H28F3N5O3 — CID 67413161

IUPAC6-methoxy-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]-1,5-naphthyridine-4-carboxamide
SMILESCOc1ccc2ncc(-c3cccc(C(F)(F)F)c3N3CCC(N4CCOCC4)CC3)c(C(N)=O)c2n1
InChIInChI=1S/C26H28F3N5O3/c1-36-21-6-5-20-23(32-21)22(25(30)35)18(15-31-20)17-3-2-4-19(26(27,28)29)24(17)34-9-7-16(8-10-34)33-11-13-37-14-12-33/h2-6,15-16H,7-14H2,1H3,(H2,30,35)
InChIKeyBIUWUKNSALWKFA-UHFFFAOYSA-N
MW515.54 g/mol
LogP3.72
Rot. Bonds5

About 6-methoxy-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]-1,5-naphthyridine-4-carboxamide

6-methoxy-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]-1,5-naphthyridine-4-carboxamide (PubChem CID 67413161) has the molecular formula C26H28F3N5O3 and a molecular weight of 515.54 g/mol. Its IUPAC name is 6-methoxy-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]-1,5-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name6-methoxy-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]-1,5-naphthyridine-4-carboxamide
PubChem CID67413161
Molecular FormulaC26H28F3N5O3
Molecular Weight515.54 g/mol
Exact Mass515.21
IUPAC Name6-methoxy-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]-1,5-naphthyridine-4-carboxamide
SMILESCOc1ccc2ncc(-c3cccc(C(F)(F)F)c3N3CCC(N4CCOCC4)CC3)c(C(N)=O)c2n1
InChIInChI=1S/C26H28F3N5O3/c1-36-21-6-5-20-23(32-21)22(25(30)35)18(15-31-20)17-3-2-4-19(26(27,28)29)24(17)34-9-7-16(8-10-34)33-11-13-37-14-12-33/h2-6,15-16H,7-14H2,1H3,(H2,30,35)
InChIKeyBIUWUKNSALWKFA-UHFFFAOYSA-N
XLogP3.72
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.54
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]-1,5-naphthyridine-4-carboxamide?
The IUPAC name of 6-methoxy-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]-1,5-naphthyridine-4-carboxamide (CID 67413161) is 6-methoxy-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]-1,5-naphthyridine-4-carboxamide.
What is the SMILES notation for 6-methoxy-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]-1,5-naphthyridine-4-carboxamide?
The canonical SMILES for 6-methoxy-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]-1,5-naphthyridine-4-carboxamide is COc1ccc2ncc(-c3cccc(C(F)(F)F)c3N3CCC(N4CCOCC4)CC3)c(C(N)=O)c2n1.
What is the InChIKey of 6-methoxy-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]-1,5-naphthyridine-4-carboxamide?
The InChIKey is BIUWUKNSALWKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N5O3/c1-36-21-6-5-20-23(32-21)22(25(30)35)18(15-31-20)17-3-2-4-19(26(27,28)29)24(17)34-9-7-16(8-10-34)33-11-13-37-14-12-33/h2-6,15-16H,7-14H2,1H3,(H2,30,35).
What are the key properties of 6-methoxy-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]-1,5-naphthyridine-4-carboxamide?
6-methoxy-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]-1,5-naphthyridine-4-carboxamide has a molecular weight of 515.54 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]-1,5-naphthyridine-4-carboxamide is sourced from PubChem (CID 67413161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).