5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid

C23H20F2N2O3 — CID 24988664

IUPAC5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid
SMILESCCOc1cccc(-c2cc(F)c(Nc3ncc(C4CC4)cc3C(=O)O)cc2F)c1
InChIInChI=1S/C23H20F2N2O3/c1-2-30-16-5-3-4-14(8-16)17-10-20(25)21(11-19(17)24)27-22-18(23(28)29)9-15(12-26-22)13-6-7-13/h3-5,8-13H,2,6-7H2,1H3,(H,26,27)(H,28,29)
InChIKeyRHSZFWUKYXGXEL-UHFFFAOYSA-N
MW410.42 g/mol
LogP5.74
Rot. Bonds7

About 5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid

5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid (PubChem CID 24988664) has the molecular formula C23H20F2N2O3 and a molecular weight of 410.42 g/mol. Its IUPAC name is 5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid
PubChem CID24988664
Molecular FormulaC23H20F2N2O3
Molecular Weight410.42 g/mol
Exact Mass410.14
IUPAC Name5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid
SMILESCCOc1cccc(-c2cc(F)c(Nc3ncc(C4CC4)cc3C(=O)O)cc2F)c1
InChIInChI=1S/C23H20F2N2O3/c1-2-30-16-5-3-4-14(8-16)17-10-20(25)21(11-19(17)24)27-22-18(23(28)29)9-15(12-26-22)13-6-7-13/h3-5,8-13H,2,6-7H2,1H3,(H,26,27)(H,28,29)
InChIKeyRHSZFWUKYXGXEL-UHFFFAOYSA-N
XLogP5.74
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.42
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid (CID 24988664) is 5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid is CCOc1cccc(-c2cc(F)c(Nc3ncc(C4CC4)cc3C(=O)O)cc2F)c1.
What is the InChIKey of 5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid?
The InChIKey is RHSZFWUKYXGXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O3/c1-2-30-16-5-3-4-14(8-16)17-10-20(25)21(11-19(17)24)27-22-18(23(28)29)9-15(12-26-22)13-6-7-13/h3-5,8-13H,2,6-7H2,1H3,(H,26,27)(H,28,29).
What are the key properties of 5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid?
5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid has a molecular weight of 410.42 g/mol, XLogP of 5.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 24988664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).