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

C29H23F2N5O3 — CID 155545755

IUPACN-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]butanamide
SMILESCCCC(=O)Nc1cc(Oc2ccc(Nc3nccc4[nH]cc(-c5ccc(F)cc5)c(=O)c34)cc2F)ccn1
InChIInChI=1S/C29H23F2N5O3/c1-2-3-26(37)36-25-15-20(10-12-32-25)39-24-9-8-19(14-22(24)31)35-29-27-23(11-13-33-29)34-16-21(28(27)38)17-4-6-18(30)7-5-17/h4-16H,2-3H2,1H3,(H,33,35)(H,34,38)(H,32,36,37)
InChIKeyWZJWUFBHESGOMB-UHFFFAOYSA-N
MW527.53 g/mol
LogP6.54
Rot. Bonds8

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

N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]butanamide (PubChem CID 155545755) has the molecular formula C29H23F2N5O3 and a molecular weight of 527.53 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]butanamide.

Molecular Properties

Compound NameN-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]butanamide
PubChem CID155545755
Molecular FormulaC29H23F2N5O3
Molecular Weight527.53 g/mol
Exact Mass527.18
IUPAC NameN-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]butanamide
SMILESCCCC(=O)Nc1cc(Oc2ccc(Nc3nccc4[nH]cc(-c5ccc(F)cc5)c(=O)c34)cc2F)ccn1
InChIInChI=1S/C29H23F2N5O3/c1-2-3-26(37)36-25-15-20(10-12-32-25)39-24-9-8-19(14-22(24)31)35-29-27-23(11-13-33-29)34-16-21(28(27)38)17-4-6-18(30)7-5-17/h4-16H,2-3H2,1H3,(H,33,35)(H,34,38)(H,32,36,37)
InChIKeyWZJWUFBHESGOMB-UHFFFAOYSA-N
XLogP6.54
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.53
LogP ≤ 56.54
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]butanamide?
The IUPAC name of N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]butanamide (CID 155545755) is N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]butanamide.
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]butanamide?
The canonical SMILES for N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]butanamide is CCCC(=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]butanamide?
The InChIKey is WZJWUFBHESGOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F2N5O3/c1-2-3-26(37)36-25-15-20(10-12-32-25)39-24-9-8-19(14-22(24)31)35-29-27-23(11-13-33-29)34-16-21(28(27)38)17-4-6-18(30)7-5-17/h4-16H,2-3H2,1H3,(H,33,35)(H,34,38)(H,32,36,37).
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]butanamide?
N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]butanamide has a molecular weight of 527.53 g/mol, XLogP of 6.54, 8 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]butanamide is sourced from PubChem (CID 155545755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).