5-cyclopropyl-2-[4-(3-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid

C24H20F2N2O3 — CID 24988292

IUPAC5-cyclopropyl-2-[4-(3-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)cnc1Nc1c(F)cc(-c2cccc(OC3CC3)c2)cc1F
InChIInChI=1S/C24H20F2N2O3/c25-20-10-15(14-2-1-3-18(8-14)31-17-6-7-17)11-21(26)22(20)28-23-19(24(29)30)9-16(12-27-23)13-4-5-13/h1-3,8-13,17H,4-7H2,(H,27,28)(H,29,30)
InChIKeyIBMBXRGWZNBNSI-UHFFFAOYSA-N
MW422.43 g/mol
LogP5.89
Rot. Bonds7

About 5-cyclopropyl-2-[4-(3-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid

5-cyclopropyl-2-[4-(3-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid (PubChem CID 24988292) has the molecular formula C24H20F2N2O3 and a molecular weight of 422.43 g/mol. Its IUPAC name is 5-cyclopropyl-2-[4-(3-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-[4-(3-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid
PubChem CID24988292
Molecular FormulaC24H20F2N2O3
Molecular Weight422.43 g/mol
Exact Mass422.14
IUPAC Name5-cyclopropyl-2-[4-(3-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(C2CC2)cnc1Nc1c(F)cc(-c2cccc(OC3CC3)c2)cc1F
InChIInChI=1S/C24H20F2N2O3/c25-20-10-15(14-2-1-3-18(8-14)31-17-6-7-17)11-21(26)22(20)28-23-19(24(29)30)9-16(12-27-23)13-4-5-13/h1-3,8-13,17H,4-7H2,(H,27,28)(H,29,30)
InChIKeyIBMBXRGWZNBNSI-UHFFFAOYSA-N
XLogP5.89
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.43
LogP ≤ 55.89
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-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-[4-(3-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid (CID 24988292) is 5-cyclopropyl-2-[4-(3-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-[4-(3-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-[4-(3-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid is O=C(O)c1cc(C2CC2)cnc1Nc1c(F)cc(-c2cccc(OC3CC3)c2)cc1F.
What is the InChIKey of 5-cyclopropyl-2-[4-(3-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid?
The InChIKey is IBMBXRGWZNBNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O3/c25-20-10-15(14-2-1-3-18(8-14)31-17-6-7-17)11-21(26)22(20)28-23-19(24(29)30)9-16(12-27-23)13-4-5-13/h1-3,8-13,17H,4-7H2,(H,27,28)(H,29,30).
What are the key properties of 5-cyclopropyl-2-[4-(3-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid?
5-cyclopropyl-2-[4-(3-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid has a molecular weight of 422.43 g/mol, XLogP of 5.89, 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-cyclopropyloxyphenyl)-2,6-difluoroanilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 24988292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).