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

C20H20N2O4 — CID 91367323

IUPAC2-[2-[4-[2-[6-(2-oxoethylideneamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid
SMILESO=CC=Nc1cccc(CCOc2ccc(C3CC3CC(=O)O)cc2)n1
InChIInChI=1S/C20H20N2O4/c23-10-9-21-19-3-1-2-16(22-19)8-11-26-17-6-4-14(5-7-17)18-12-15(18)13-20(24)25/h1-7,9-10,15,18H,8,11-13H2,(H,24,25)
InChIKeyNVEPBDFGDMXMOG-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.18
Rot. Bonds9

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

2-[2-[4-[2-[6-(2-oxoethylideneamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid (PubChem CID 91367323) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is 2-[2-[4-[2-[6-(2-oxoethylideneamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[2-[4-[2-[6-(2-oxoethylideneamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid
PubChem CID91367323
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name2-[2-[4-[2-[6-(2-oxoethylideneamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid
SMILESO=CC=Nc1cccc(CCOc2ccc(C3CC3CC(=O)O)cc2)n1
InChIInChI=1S/C20H20N2O4/c23-10-9-21-19-3-1-2-16(22-19)8-11-26-17-6-4-14(5-7-17)18-12-15(18)13-20(24)25/h1-7,9-10,15,18H,8,11-13H2,(H,24,25)
InChIKeyNVEPBDFGDMXMOG-UHFFFAOYSA-N
XLogP3.18
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid
CID 90807928
2-[1-methyl-2-[4-[2-[6-(2-oxoethylamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid
CID 90854379
2-[(1S,2R)-2-(6-methyl-3-pyridinyl)cyclopropyl]acetic acid
CID 140830560
2-[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetate
CID 22347616
acetic acid;4-[2-(6-amino-2-pyridinyl)ethoxy]benzoic acid
CID 70106532
2-[2-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethoxy)phenyl]cyclopropyl]acetic acid
CID 22347663
2-[(1S,2S)-2-(2-phenoxyethyl)cyclopropyl]acetic acid
CID 21109018
2-[(1R)-2-(2-phenoxyethyl)cyclopropyl]acetic acid
CID 142831319
2-[2,2-dimethyl-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]phenyl]cyclopropyl]acetic acid
CID 22347519
methyl 3-methyl-4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]but-3-enoate
CID 54281184
4-[4-[2-[6-(methylamino)-2-pyridinyl]ethoxy]phenyl]pentanoic acid
CID 142102612
2-[(1S)-5-[2-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]ethoxy]-2,3-dihydro-1H-inden-1-yl]acetic acid
CID 67018959

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-[6-(2-oxoethylideneamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[2-[4-[2-[6-(2-oxoethylideneamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid (CID 91367323) is 2-[2-[4-[2-[6-(2-oxoethylideneamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[2-[4-[2-[6-(2-oxoethylideneamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[2-[4-[2-[6-(2-oxoethylideneamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid is O=CC=Nc1cccc(CCOc2ccc(C3CC3CC(=O)O)cc2)n1.
What is the InChIKey of 2-[2-[4-[2-[6-(2-oxoethylideneamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid?
The InChIKey is NVEPBDFGDMXMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c23-10-9-21-19-3-1-2-16(22-19)8-11-26-17-6-4-14(5-7-17)18-12-15(18)13-20(24)25/h1-7,9-10,15,18H,8,11-13H2,(H,24,25).
What are the key properties of 2-[2-[4-[2-[6-(2-oxoethylideneamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid?
2-[2-[4-[2-[6-(2-oxoethylideneamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid has a molecular weight of 352.39 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-[6-(2-oxoethylideneamino)-2-pyridinyl]ethoxy]phenyl]cyclopropyl]acetic acid is sourced from PubChem (CID 91367323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).