2-[[6-(5-fluoro-2-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid

C21H19FN2O3 — CID 57479023

IUPAC2-[[6-(5-fluoro-2-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
SMILESCOc1ccc(F)cc1-c1ncc(Nc2ccc(C)cc2C(=O)O)cc1C
InChIInChI=1S/C21H19FN2O3/c1-12-4-6-18(16(8-12)21(25)26)24-15-9-13(2)20(23-11-15)17-10-14(22)5-7-19(17)27-3/h4-11,24H,1-3H3,(H,25,26)
InChIKeyAQKTYIKHOIMLAZ-UHFFFAOYSA-N
MW366.39 g/mol
LogP4.95
Rot. Bonds5

About 2-[[6-(5-fluoro-2-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid

2-[[6-(5-fluoro-2-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid (PubChem CID 57479023) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is 2-[[6-(5-fluoro-2-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[[6-(5-fluoro-2-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
PubChem CID57479023
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC Name2-[[6-(5-fluoro-2-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid
SMILESCOc1ccc(F)cc1-c1ncc(Nc2ccc(C)cc2C(=O)O)cc1C
InChIInChI=1S/C21H19FN2O3/c1-12-4-6-18(16(8-12)21(25)26)24-15-9-13(2)20(23-11-15)17-10-14(22)5-7-19(17)27-3/h4-11,24H,1-3H3,(H,25,26)
InChIKeyAQKTYIKHOIMLAZ-UHFFFAOYSA-N
XLogP4.95
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(5-fluoro-2-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid?
The IUPAC name of 2-[[6-(5-fluoro-2-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid (CID 57479023) is 2-[[6-(5-fluoro-2-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[[6-(5-fluoro-2-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid?
The canonical SMILES for 2-[[6-(5-fluoro-2-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid is COc1ccc(F)cc1-c1ncc(Nc2ccc(C)cc2C(=O)O)cc1C.
What is the InChIKey of 2-[[6-(5-fluoro-2-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid?
The InChIKey is AQKTYIKHOIMLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-12-4-6-18(16(8-12)21(25)26)24-15-9-13(2)20(23-11-15)17-10-14(22)5-7-19(17)27-3/h4-11,24H,1-3H3,(H,25,26).
What are the key properties of 2-[[6-(5-fluoro-2-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid?
2-[[6-(5-fluoro-2-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid has a molecular weight of 366.39 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(5-fluoro-2-methoxyphenyl)-5-methyl-3-pyridinyl]amino]-5-methylbenzoic acid is sourced from PubChem (CID 57479023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).