2-[2-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid

C19H22N2O3 — CID 22319462

IUPAC2-[2-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid
SMILESCNc1cccc(CCOc2ccc(C3CC3CC(=O)O)cc2)n1
InChIInChI=1S/C19H22N2O3/c1-20-18-4-2-3-15(21-18)9-10-24-16-7-5-13(6-8-16)17-11-14(17)12-19(22)23/h2-8,14,17H,9-12H2,1H3,(H,20,21)(H,22,23)
InChIKeyXWRTZPXJAOUAPR-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.32
Rot. Bonds8

About 2-[2-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid

2-[2-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid (PubChem CID 22319462) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[2-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[2-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid
PubChem CID22319462
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-[2-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid
SMILESCNc1cccc(CCOc2ccc(C3CC3CC(=O)O)cc2)n1
InChIInChI=1S/C19H22N2O3/c1-20-18-4-2-3-15(21-18)9-10-24-16-7-5-13(6-8-16)17-11-14(17)12-19(22)23/h2-8,14,17H,9-12H2,1H3,(H,20,21)(H,22,23)
InChIKeyXWRTZPXJAOUAPR-UHFFFAOYSA-N
XLogP3.32
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[2-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid (CID 22319462) is 2-[2-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[2-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[2-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid is CNc1cccc(CCOc2ccc(C3CC3CC(=O)O)cc2)n1.
What is the InChIKey of 2-[2-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid?
The InChIKey is XWRTZPXJAOUAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-20-18-4-2-3-15(21-18)9-10-24-16-7-5-13(6-8-16)17-11-14(17)12-19(22)23/h2-8,14,17H,9-12H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-[2-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid?
2-[2-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid has a molecular weight of 326.40 g/mol, XLogP of 3.32, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 22319462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).