(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]prop-2-enamide

C25H21N3O4 — CID 56530759

IUPAC(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)OCCO2)Nc1cccc(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C25H21N3O4/c29-25(10-8-18-7-9-22-23(14-18)31-13-12-30-22)27-19-4-3-5-21(15-19)32-17-20-16-28-11-2-1-6-24(28)26-20/h1-11,14-16H,12-13,17H2,(H,27,29)/b10-8+
InChIKeyQPZOWHUERVHTNL-CSKARUKUSA-N
MW427.46 g/mol
LogP4.34
Rot. Bonds6

About (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]prop-2-enamide

(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]prop-2-enamide (PubChem CID 56530759) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]prop-2-enamide
PubChem CID56530759
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC Name(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)OCCO2)Nc1cccc(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C25H21N3O4/c29-25(10-8-18-7-9-22-23(14-18)31-13-12-30-22)27-19-4-3-5-21(15-19)32-17-20-16-28-11-2-1-6-24(28)26-20/h1-11,14-16H,12-13,17H2,(H,27,29)/b10-8+
InChIKeyQPZOWHUERVHTNL-CSKARUKUSA-N
XLogP4.34
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-phenylprop-2-enamide
CID 56530976
(E)-3-(2-fluorophenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 56582329
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]urea
CID 46355923
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]naphthalene-1-carboxamide
CID 56537813
4-[ethyl(methyl)amino]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530641
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]prop-2-enamide
CID 55763202
4-ethyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530964
N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]benzamide
CID 56582393
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119875040
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 55579517
3,4-difluoro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530610
4-(diethylaminomethyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530632

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]prop-2-enamide (CID 56530759) is (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]prop-2-enamide is O=C(/C=C/c1ccc2c(c1)OCCO2)Nc1cccc(OCc2cn3ccccc3n2)c1.
What is the InChIKey of (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]prop-2-enamide?
The InChIKey is QPZOWHUERVHTNL-CSKARUKUSA-N. The full InChI is InChI=1S/C25H21N3O4/c29-25(10-8-18-7-9-22-23(14-18)31-13-12-30-22)27-19-4-3-5-21(15-19)32-17-20-16-28-11-2-1-6-24(28)26-20/h1-11,14-16H,12-13,17H2,(H,27,29)/b10-8+.
What are the key properties of (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]prop-2-enamide?
(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]prop-2-enamide has a molecular weight of 427.46 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 56530759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).