N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]acetamide

C27H19F2N5O3 — CID 155526828

IUPACN-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc(Nc3nccc4[nH]cc(-c5ccc(F)cc5)c(=O)c34)cc2F)ccn1
InChIInChI=1S/C27H19F2N5O3/c1-15(35)33-24-13-19(8-10-30-24)37-23-7-6-18(12-21(23)29)34-27-25-22(9-11-31-27)32-14-20(26(25)36)16-2-4-17(28)5-3-16/h2-14H,1H3,(H,31,34)(H,32,36)(H,30,33,35)
InChIKeyAHFOPBCHPBMFCI-UHFFFAOYSA-N
MW499.48 g/mol
LogP5.76
Rot. Bonds6

About N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]acetamide

N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]acetamide (PubChem CID 155526828) has the molecular formula C27H19F2N5O3 and a molecular weight of 499.48 g/mol. Its IUPAC name is N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]acetamide
PubChem CID155526828
Molecular FormulaC27H19F2N5O3
Molecular Weight499.48 g/mol
Exact Mass499.15
IUPAC NameN-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc(Nc3nccc4[nH]cc(-c5ccc(F)cc5)c(=O)c34)cc2F)ccn1
InChIInChI=1S/C27H19F2N5O3/c1-15(35)33-24-13-19(8-10-30-24)37-23-7-6-18(12-21(23)29)34-27-25-22(9-11-31-27)32-14-20(26(25)36)16-2-4-17(28)5-3-16/h2-14H,1H3,(H,31,34)(H,32,36)(H,30,33,35)
InChIKeyAHFOPBCHPBMFCI-UHFFFAOYSA-N
XLogP5.76
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.48
LogP ≤ 55.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]acetamide (CID 155526828) is N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2ccc(Nc3nccc4[nH]cc(-c5ccc(F)cc5)c(=O)c34)cc2F)ccn1.
What is the InChIKey of N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]acetamide?
The InChIKey is AHFOPBCHPBMFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F2N5O3/c1-15(35)33-24-13-19(8-10-30-24)37-23-7-6-18(12-21(23)29)34-27-25-22(9-11-31-27)32-14-20(26(25)36)16-2-4-17(28)5-3-16/h2-14H,1H3,(H,31,34)(H,32,36)(H,30,33,35).
What are the key properties of N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]acetamide?
N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]acetamide has a molecular weight of 499.48 g/mol, XLogP of 5.76, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]acetamide is sourced from PubChem (CID 155526828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).