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

C29H23F2N5O3 — CID 155533175

IUPACN-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(Oc2ccc(Nc3nccc4[nH]cc(-c5ccc(F)cc5)c(=O)c34)cc2F)ccn1
InChIInChI=1S/C29H23F2N5O3/c1-16(2)29(38)36-25-14-20(9-11-32-25)39-24-8-7-19(13-22(24)31)35-28-26-23(10-12-33-28)34-15-21(27(26)37)17-3-5-18(30)6-4-17/h3-16H,1-2H3,(H,33,35)(H,34,37)(H,32,36,38)
InChIKeyFSIJKYVPVCJWQB-UHFFFAOYSA-N
MW527.53 g/mol
LogP6.39
Rot. Bonds7

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

N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]-2-methylpropanamide (PubChem CID 155533175) 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]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]-2-methylpropanamide
PubChem CID155533175
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]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(Oc2ccc(Nc3nccc4[nH]cc(-c5ccc(F)cc5)c(=O)c34)cc2F)ccn1
InChIInChI=1S/C29H23F2N5O3/c1-16(2)29(38)36-25-14-20(9-11-32-25)39-24-8-7-19(13-22(24)31)35-28-26-23(10-12-33-28)34-15-21(27(26)37)17-3-5-18(30)6-4-17/h3-16H,1-2H3,(H,33,35)(H,34,37)(H,32,36,38)
InChIKeyFSIJKYVPVCJWQB-UHFFFAOYSA-N
XLogP6.39
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.53
LogP ≤ 56.39
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]-2-methylpropanamide?
The IUPAC name of N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]-2-methylpropanamide (CID 155533175) is N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]-2-methylpropanamide.
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]-2-methylpropanamide?
The canonical SMILES for N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]-2-methylpropanamide is CC(C)C(=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]-2-methylpropanamide?
The InChIKey is FSIJKYVPVCJWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F2N5O3/c1-16(2)29(38)36-25-14-20(9-11-32-25)39-24-8-7-19(13-22(24)31)35-28-26-23(10-12-33-28)34-15-21(27(26)37)17-3-5-18(30)6-4-17/h3-16H,1-2H3,(H,33,35)(H,34,37)(H,32,36,38).
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]-2-methylpropanamide?
N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]-2-methylpropanamide has a molecular weight of 527.53 g/mol, XLogP of 6.39, 7 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]-2-methylpropanamide is sourced from PubChem (CID 155533175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).