4-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluoro-N-methylanilino]butanoic acid

C20H22F2N2O3 — CID 121447313

IUPAC4-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluoro-N-methylanilino]butanoic acid
SMILESCN(CCCC(=O)O)c1c(F)cc(-c2cccc(OC3CCC3)n2)cc1F
InChIInChI=1S/C20H22F2N2O3/c1-24(10-4-9-19(25)26)20-15(21)11-13(12-16(20)22)17-7-3-8-18(23-17)27-14-5-2-6-14/h3,7-8,11-12,14H,2,4-6,9-10H2,1H3,(H,25,26)
InChIKeyPYYFINCIKKKONS-UHFFFAOYSA-N
MW376.40 g/mol
LogP4.26
Rot. Bonds8

About 4-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluoro-N-methylanilino]butanoic acid

4-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluoro-N-methylanilino]butanoic acid (PubChem CID 121447313) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is 4-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluoro-N-methylanilino]butanoic acid.

Molecular Properties

Compound Name4-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluoro-N-methylanilino]butanoic acid
PubChem CID121447313
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC Name4-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluoro-N-methylanilino]butanoic acid
SMILESCN(CCCC(=O)O)c1c(F)cc(-c2cccc(OC3CCC3)n2)cc1F
InChIInChI=1S/C20H22F2N2O3/c1-24(10-4-9-19(25)26)20-15(21)11-13(12-16(20)22)17-7-3-8-18(23-17)27-14-5-2-6-14/h3,7-8,11-12,14H,2,4-6,9-10H2,1H3,(H,25,26)
InChIKeyPYYFINCIKKKONS-UHFFFAOYSA-N
XLogP4.26
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluoro-N-methylanilino]butanoic acid?
The IUPAC name of 4-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluoro-N-methylanilino]butanoic acid (CID 121447313) is 4-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluoro-N-methylanilino]butanoic acid.
What is the SMILES notation for 4-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluoro-N-methylanilino]butanoic acid?
The canonical SMILES for 4-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluoro-N-methylanilino]butanoic acid is CN(CCCC(=O)O)c1c(F)cc(-c2cccc(OC3CCC3)n2)cc1F.
What is the InChIKey of 4-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluoro-N-methylanilino]butanoic acid?
The InChIKey is PYYFINCIKKKONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c1-24(10-4-9-19(25)26)20-15(21)11-13(12-16(20)22)17-7-3-8-18(23-17)27-14-5-2-6-14/h3,7-8,11-12,14H,2,4-6,9-10H2,1H3,(H,25,26).
What are the key properties of 4-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluoro-N-methylanilino]butanoic acid?
4-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluoro-N-methylanilino]butanoic acid has a molecular weight of 376.40 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-cyclobutyloxy-2-pyridinyl)-2,6-difluoro-N-methylanilino]butanoic acid is sourced from PubChem (CID 121447313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).