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

C30H25F2N5O3 — CID 155516460

IUPACN-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1cc(Oc2ccc(Nc3nccc4[nH]cc(-c5ccc(F)cc5)c(=O)c34)cc2F)ccn1
InChIInChI=1S/C30H25F2N5O3/c1-2-3-4-27(38)37-26-16-21(11-13-33-26)40-25-10-9-20(15-23(25)32)36-30-28-24(12-14-34-30)35-17-22(29(28)39)18-5-7-19(31)8-6-18/h5-17H,2-4H2,1H3,(H,34,36)(H,35,39)(H,33,37,38)
InChIKeyZQWLWUNEDJXZGN-UHFFFAOYSA-N
MW541.56 g/mol
LogP6.93
Rot. Bonds9

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

N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]pentanamide (PubChem CID 155516460) has the molecular formula C30H25F2N5O3 and a molecular weight of 541.56 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]pentanamide.

Molecular Properties

Compound NameN-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]pentanamide
PubChem CID155516460
Molecular FormulaC30H25F2N5O3
Molecular Weight541.56 g/mol
Exact Mass541.19
IUPAC NameN-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]pentanamide
SMILESCCCCC(=O)Nc1cc(Oc2ccc(Nc3nccc4[nH]cc(-c5ccc(F)cc5)c(=O)c34)cc2F)ccn1
InChIInChI=1S/C30H25F2N5O3/c1-2-3-4-27(38)37-26-16-21(11-13-33-26)40-25-10-9-20(15-23(25)32)36-30-28-24(12-14-34-30)35-17-22(29(28)39)18-5-7-19(31)8-6-18/h5-17H,2-4H2,1H3,(H,34,36)(H,35,39)(H,33,37,38)
InChIKeyZQWLWUNEDJXZGN-UHFFFAOYSA-N
XLogP6.93
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.56
LogP ≤ 56.93
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]pentanamide?
The IUPAC name of N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]pentanamide (CID 155516460) is N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]pentanamide.
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]pentanamide?
The canonical SMILES for N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]pentanamide is CCCCC(=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]pentanamide?
The InChIKey is ZQWLWUNEDJXZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F2N5O3/c1-2-3-4-27(38)37-26-16-21(11-13-33-26)40-25-10-9-20(15-23(25)32)36-30-28-24(12-14-34-30)35-17-22(29(28)39)18-5-7-19(31)8-6-18/h5-17H,2-4H2,1H3,(H,34,36)(H,35,39)(H,33,37,38).
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]pentanamide?
N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]pentanamide has a molecular weight of 541.56 g/mol, XLogP of 6.93, 9 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]pentanamide is sourced from PubChem (CID 155516460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).