4-fluoro-3-[[2-[1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide

C23H26FN5O2 — CID 166940507

IUPAC4-fluoro-3-[[2-[1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide
SMILESCN1CCC(C(C)(O)c2ccc3cnc(Nc4cc(C(N)=O)ccc4F)cc3n2)CC1
InChIInChI=1S/C23H26FN5O2/c1-23(31,16-7-9-29(2)10-8-16)20-6-4-15-13-26-21(12-18(15)27-20)28-19-11-14(22(25)30)3-5-17(19)24/h3-6,11-13,16,31H,7-10H2,1-2H3,(H2,25,30)(H,26,28)
InChIKeyZETBYRYRQFMRIH-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.16
Rot. Bonds5

About 4-fluoro-3-[[2-[1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide

4-fluoro-3-[[2-[1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide (PubChem CID 166940507) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 4-fluoro-3-[[2-[1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[[2-[1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide
PubChem CID166940507
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Name4-fluoro-3-[[2-[1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide
SMILESCN1CCC(C(C)(O)c2ccc3cnc(Nc4cc(C(N)=O)ccc4F)cc3n2)CC1
InChIInChI=1S/C23H26FN5O2/c1-23(31,16-7-9-29(2)10-8-16)20-6-4-15-13-26-21(12-18(15)27-20)28-19-11-14(22(25)30)3-5-17(19)24/h3-6,11-13,16,31H,7-10H2,1-2H3,(H2,25,30)(H,26,28)
InChIKeyZETBYRYRQFMRIH-UHFFFAOYSA-N
XLogP3.16
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[2-[1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide?
The IUPAC name of 4-fluoro-3-[[2-[1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide (CID 166940507) is 4-fluoro-3-[[2-[1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide.
What is the SMILES notation for 4-fluoro-3-[[2-[1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide?
The canonical SMILES for 4-fluoro-3-[[2-[1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide is CN1CCC(C(C)(O)c2ccc3cnc(Nc4cc(C(N)=O)ccc4F)cc3n2)CC1.
What is the InChIKey of 4-fluoro-3-[[2-[1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide?
The InChIKey is ZETBYRYRQFMRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c1-23(31,16-7-9-29(2)10-8-16)20-6-4-15-13-26-21(12-18(15)27-20)28-19-11-14(22(25)30)3-5-17(19)24/h3-6,11-13,16,31H,7-10H2,1-2H3,(H2,25,30)(H,26,28).
What are the key properties of 4-fluoro-3-[[2-[1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide?
4-fluoro-3-[[2-[1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide has a molecular weight of 423.49 g/mol, XLogP of 3.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[2-[1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide is sourced from PubChem (CID 166940507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).