6-[4-[[5-ethyl-1-[(4-fluorophenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid

C24H20FN5O5 — CID 130278370

IUPAC6-[4-[[5-ethyl-1-[(4-fluorophenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid
SMILESCCn1c(=O)nc(Nc2ccc(Oc3cccc(C(=O)O)n3)cc2)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C24H20FN5O5/c1-2-29-23(33)28-22(30(24(29)34)14-15-6-8-16(25)9-7-15)26-17-10-12-18(13-11-17)35-20-5-3-4-19(27-20)21(31)32/h3-13H,2,14H2,1H3,(H,31,32)(H,26,28,33)
InChIKeyZAUVHZCIEZSYCB-UHFFFAOYSA-N
MW477.45 g/mol
LogP3.24
Rot. Bonds8

About 6-[4-[[5-ethyl-1-[(4-fluorophenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid

6-[4-[[5-ethyl-1-[(4-fluorophenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid (PubChem CID 130278370) has the molecular formula C24H20FN5O5 and a molecular weight of 477.45 g/mol. Its IUPAC name is 6-[4-[[5-ethyl-1-[(4-fluorophenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-[[5-ethyl-1-[(4-fluorophenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid
PubChem CID130278370
Molecular FormulaC24H20FN5O5
Molecular Weight477.45 g/mol
Exact Mass477.14
IUPAC Name6-[4-[[5-ethyl-1-[(4-fluorophenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid
SMILESCCn1c(=O)nc(Nc2ccc(Oc3cccc(C(=O)O)n3)cc2)n(Cc2ccc(F)cc2)c1=O
InChIInChI=1S/C24H20FN5O5/c1-2-29-23(33)28-22(30(24(29)34)14-15-6-8-16(25)9-7-15)26-17-10-12-18(13-11-17)35-20-5-3-4-19(27-20)21(31)32/h3-13H,2,14H2,1H3,(H,31,32)(H,26,28,33)
InChIKeyZAUVHZCIEZSYCB-UHFFFAOYSA-N
XLogP3.24
TPSA128.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[5-ethyl-1-[(4-fluorophenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-[[5-ethyl-1-[(4-fluorophenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid (CID 130278370) is 6-[4-[[5-ethyl-1-[(4-fluorophenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-[[5-ethyl-1-[(4-fluorophenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-[[5-ethyl-1-[(4-fluorophenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid is CCn1c(=O)nc(Nc2ccc(Oc3cccc(C(=O)O)n3)cc2)n(Cc2ccc(F)cc2)c1=O.
What is the InChIKey of 6-[4-[[5-ethyl-1-[(4-fluorophenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid?
The InChIKey is ZAUVHZCIEZSYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O5/c1-2-29-23(33)28-22(30(24(29)34)14-15-6-8-16(25)9-7-15)26-17-10-12-18(13-11-17)35-20-5-3-4-19(27-20)21(31)32/h3-13H,2,14H2,1H3,(H,31,32)(H,26,28,33).
What are the key properties of 6-[4-[[5-ethyl-1-[(4-fluorophenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid?
6-[4-[[5-ethyl-1-[(4-fluorophenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid has a molecular weight of 477.45 g/mol, XLogP of 3.24, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[5-ethyl-1-[(4-fluorophenyl)methyl]-4,6-dioxo-1,3,5-triazin-2-yl]amino]phenoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 130278370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).