5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid

C22H19FN2O3 — CID 24988290

IUPAC5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid
SMILESCOc1cccc(-c2ccc(Nc3ncc(C4CC4)cc3C(=O)O)c(F)c2)c1
InChIInChI=1S/C22H19FN2O3/c1-28-17-4-2-3-14(9-17)15-7-8-20(19(23)11-15)25-21-18(22(26)27)10-16(12-24-21)13-5-6-13/h2-4,7-13H,5-6H2,1H3,(H,24,25)(H,26,27)
InChIKeyLVIDZXKWJBBXKN-UHFFFAOYSA-N
MW378.40 g/mol
LogP5.22
Rot. Bonds6

About 5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid

5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid (PubChem CID 24988290) has the molecular formula C22H19FN2O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is 5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid
PubChem CID24988290
Molecular FormulaC22H19FN2O3
Molecular Weight378.40 g/mol
Exact Mass378.14
IUPAC Name5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid
SMILESCOc1cccc(-c2ccc(Nc3ncc(C4CC4)cc3C(=O)O)c(F)c2)c1
InChIInChI=1S/C22H19FN2O3/c1-28-17-4-2-3-14(9-17)15-7-8-20(19(23)11-15)25-21-18(22(26)27)10-16(12-24-21)13-5-6-13/h2-4,7-13H,5-6H2,1H3,(H,24,25)(H,26,27)
InChIKeyLVIDZXKWJBBXKN-UHFFFAOYSA-N
XLogP5.22
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.40
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid (CID 24988290) is 5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid is COc1cccc(-c2ccc(Nc3ncc(C4CC4)cc3C(=O)O)c(F)c2)c1.
What is the InChIKey of 5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid?
The InChIKey is LVIDZXKWJBBXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O3/c1-28-17-4-2-3-14(9-17)15-7-8-20(19(23)11-15)25-21-18(22(26)27)10-16(12-24-21)13-5-6-13/h2-4,7-13H,5-6H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid?
5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid has a molecular weight of 378.40 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 24988290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).