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

C20H22F2N2O3 — CID 121447267

IUPAC4-[4-[6-(cyclopropylmethoxy)-2-pyridinyl]-2,6-difluoro-N-methylanilino]butanoic acid
SMILESCN(CCCC(=O)O)c1c(F)cc(-c2cccc(OCC3CC3)n2)cc1F
InChIInChI=1S/C20H22F2N2O3/c1-24(9-3-6-19(25)26)20-15(21)10-14(11-16(20)22)17-4-2-5-18(23-17)27-12-13-7-8-13/h2,4-5,10-11,13H,3,6-9,12H2,1H3,(H,25,26)
InChIKeyUJPHQAVKEIYUJS-UHFFFAOYSA-N
MW376.40 g/mol
LogP4.12
Rot. Bonds9

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

4-[4-[6-(cyclopropylmethoxy)-2-pyridinyl]-2,6-difluoro-N-methylanilino]butanoic acid (PubChem CID 121447267) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is 4-[4-[6-(cyclopropylmethoxy)-2-pyridinyl]-2,6-difluoro-N-methylanilino]butanoic acid.

Molecular Properties

Compound Name4-[4-[6-(cyclopropylmethoxy)-2-pyridinyl]-2,6-difluoro-N-methylanilino]butanoic acid
PubChem CID121447267
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC Name4-[4-[6-(cyclopropylmethoxy)-2-pyridinyl]-2,6-difluoro-N-methylanilino]butanoic acid
SMILESCN(CCCC(=O)O)c1c(F)cc(-c2cccc(OCC3CC3)n2)cc1F
InChIInChI=1S/C20H22F2N2O3/c1-24(9-3-6-19(25)26)20-15(21)10-14(11-16(20)22)17-4-2-5-18(23-17)27-12-13-7-8-13/h2,4-5,10-11,13H,3,6-9,12H2,1H3,(H,25,26)
InChIKeyUJPHQAVKEIYUJS-UHFFFAOYSA-N
XLogP4.12
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-[6-(cyclopropylmethoxy)-2-pyridinyl]-2,6-difluoro-N-methylanilino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(cyclopropylmethoxy)-2-pyridinyl]-2,6-difluoro-N-methylanilino]butanoic acid?
The IUPAC name of 4-[4-[6-(cyclopropylmethoxy)-2-pyridinyl]-2,6-difluoro-N-methylanilino]butanoic acid (CID 121447267) is 4-[4-[6-(cyclopropylmethoxy)-2-pyridinyl]-2,6-difluoro-N-methylanilino]butanoic acid.
What is the SMILES notation for 4-[4-[6-(cyclopropylmethoxy)-2-pyridinyl]-2,6-difluoro-N-methylanilino]butanoic acid?
The canonical SMILES for 4-[4-[6-(cyclopropylmethoxy)-2-pyridinyl]-2,6-difluoro-N-methylanilino]butanoic acid is CN(CCCC(=O)O)c1c(F)cc(-c2cccc(OCC3CC3)n2)cc1F.
What is the InChIKey of 4-[4-[6-(cyclopropylmethoxy)-2-pyridinyl]-2,6-difluoro-N-methylanilino]butanoic acid?
The InChIKey is UJPHQAVKEIYUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c1-24(9-3-6-19(25)26)20-15(21)10-14(11-16(20)22)17-4-2-5-18(23-17)27-12-13-7-8-13/h2,4-5,10-11,13H,3,6-9,12H2,1H3,(H,25,26).
What are the key properties of 4-[4-[6-(cyclopropylmethoxy)-2-pyridinyl]-2,6-difluoro-N-methylanilino]butanoic acid?
4-[4-[6-(cyclopropylmethoxy)-2-pyridinyl]-2,6-difluoro-N-methylanilino]butanoic acid has a molecular weight of 376.40 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(cyclopropylmethoxy)-2-pyridinyl]-2,6-difluoro-N-methylanilino]butanoic acid is sourced from PubChem (CID 121447267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).