2-[[1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzoyl)-6-oxo-2-pyridinyl]amino]acetic acid

C22H19FN2O6 — CID 11510151

IUPAC2-[[1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzoyl)-6-oxo-2-pyridinyl]amino]acetic acid
SMILESCOc1ccc(-n2c(NCC(=O)O)c(C(=O)c3ccc(F)cc3)ccc2=O)c(OC)c1
InChIInChI=1S/C22H19FN2O6/c1-30-15-7-9-17(18(11-15)31-2)25-19(26)10-8-16(22(25)24-12-20(27)28)21(29)13-3-5-14(23)6-4-13/h3-11,24H,12H2,1-2H3,(H,27,28)
InChIKeyUGSQCMPKWLUDKC-UHFFFAOYSA-N
MW426.40 g/mol
LogP2.72
Rot. Bonds8

About 2-[[1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzoyl)-6-oxo-2-pyridinyl]amino]acetic acid

2-[[1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzoyl)-6-oxo-2-pyridinyl]amino]acetic acid (PubChem CID 11510151) has the molecular formula C22H19FN2O6 and a molecular weight of 426.40 g/mol. Its IUPAC name is 2-[[1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzoyl)-6-oxo-2-pyridinyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzoyl)-6-oxo-2-pyridinyl]amino]acetic acid
PubChem CID11510151
Molecular FormulaC22H19FN2O6
Molecular Weight426.40 g/mol
Exact Mass426.12
IUPAC Name2-[[1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzoyl)-6-oxo-2-pyridinyl]amino]acetic acid
SMILESCOc1ccc(-n2c(NCC(=O)O)c(C(=O)c3ccc(F)cc3)ccc2=O)c(OC)c1
InChIInChI=1S/C22H19FN2O6/c1-30-15-7-9-17(18(11-15)31-2)25-19(26)10-8-16(22(25)24-12-20(27)28)21(29)13-3-5-14(23)6-4-13/h3-11,24H,12H2,1-2H3,(H,27,28)
InChIKeyUGSQCMPKWLUDKC-UHFFFAOYSA-N
XLogP2.72
TPSA106.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzoyl)-6-oxo-2-pyridinyl]amino]acetic acid?
The IUPAC name of 2-[[1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzoyl)-6-oxo-2-pyridinyl]amino]acetic acid (CID 11510151) is 2-[[1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzoyl)-6-oxo-2-pyridinyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzoyl)-6-oxo-2-pyridinyl]amino]acetic acid?
The canonical SMILES for 2-[[1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzoyl)-6-oxo-2-pyridinyl]amino]acetic acid is COc1ccc(-n2c(NCC(=O)O)c(C(=O)c3ccc(F)cc3)ccc2=O)c(OC)c1.
What is the InChIKey of 2-[[1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzoyl)-6-oxo-2-pyridinyl]amino]acetic acid?
The InChIKey is UGSQCMPKWLUDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O6/c1-30-15-7-9-17(18(11-15)31-2)25-19(26)10-8-16(22(25)24-12-20(27)28)21(29)13-3-5-14(23)6-4-13/h3-11,24H,12H2,1-2H3,(H,27,28).
What are the key properties of 2-[[1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzoyl)-6-oxo-2-pyridinyl]amino]acetic acid?
2-[[1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzoyl)-6-oxo-2-pyridinyl]amino]acetic acid has a molecular weight of 426.40 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,4-dimethoxyphenyl)-3-(4-fluorobenzoyl)-6-oxo-2-pyridinyl]amino]acetic acid is sourced from PubChem (CID 11510151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).