4-(1,8-naphthyridin-2-yl)-N-[[4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide

C26H22F3N3O2 — CID 71454858

IUPAC4-(1,8-naphthyridin-2-yl)-N-[[4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide
SMILESO=C(CCCc1ccc2cccnc2n1)NCc1ccc(-c2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C26H22F3N3O2/c27-26(28,29)34-23-7-1-4-21(16-23)19-11-9-18(10-12-19)17-31-24(33)8-2-6-22-14-13-20-5-3-15-30-25(20)32-22/h1,3-5,7,9-16H,2,6,8,17H2,(H,31,33)
InChIKeyIYJBGUHBYDUPEB-UHFFFAOYSA-N
MW465.48 g/mol
LogP5.83
Rot. Bonds8

About 4-(1,8-naphthyridin-2-yl)-N-[[4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide

4-(1,8-naphthyridin-2-yl)-N-[[4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide (PubChem CID 71454858) has the molecular formula C26H22F3N3O2 and a molecular weight of 465.48 g/mol. Its IUPAC name is 4-(1,8-naphthyridin-2-yl)-N-[[4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(1,8-naphthyridin-2-yl)-N-[[4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide
PubChem CID71454858
Molecular FormulaC26H22F3N3O2
Molecular Weight465.48 g/mol
Exact Mass465.17
IUPAC Name4-(1,8-naphthyridin-2-yl)-N-[[4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide
SMILESO=C(CCCc1ccc2cccnc2n1)NCc1ccc(-c2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C26H22F3N3O2/c27-26(28,29)34-23-7-1-4-21(16-23)19-11-9-18(10-12-19)17-31-24(33)8-2-6-22-14-13-20-5-3-15-30-25(20)32-22/h1,3-5,7,9-16H,2,6,8,17H2,(H,31,33)
InChIKeyIYJBGUHBYDUPEB-UHFFFAOYSA-N
XLogP5.83
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.48
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,8-naphthyridin-2-yl)-N-[[4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide?
The IUPAC name of 4-(1,8-naphthyridin-2-yl)-N-[[4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide (CID 71454858) is 4-(1,8-naphthyridin-2-yl)-N-[[4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide.
What is the SMILES notation for 4-(1,8-naphthyridin-2-yl)-N-[[4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide?
The canonical SMILES for 4-(1,8-naphthyridin-2-yl)-N-[[4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide is O=C(CCCc1ccc2cccnc2n1)NCc1ccc(-c2cccc(OC(F)(F)F)c2)cc1.
What is the InChIKey of 4-(1,8-naphthyridin-2-yl)-N-[[4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide?
The InChIKey is IYJBGUHBYDUPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O2/c27-26(28,29)34-23-7-1-4-21(16-23)19-11-9-18(10-12-19)17-31-24(33)8-2-6-22-14-13-20-5-3-15-30-25(20)32-22/h1,3-5,7,9-16H,2,6,8,17H2,(H,31,33).
What are the key properties of 4-(1,8-naphthyridin-2-yl)-N-[[4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide?
4-(1,8-naphthyridin-2-yl)-N-[[4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide has a molecular weight of 465.48 g/mol, XLogP of 5.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,8-naphthyridin-2-yl)-N-[[4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide is sourced from PubChem (CID 71454858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).