N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide

C25H23N3O4 — CID 40920170

IUPACN-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
SMILESC[C@@H](NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C25H23N3O4/c1-17(19-7-10-22-23(14-19)31-13-12-30-22)26-25(29)18-5-8-21(9-6-18)32-16-20-15-28-11-3-2-4-24(28)27-20/h2-11,14-15,17H,12-13,16H2,1H3,(H,26,29)/t17-/m1/s1
InChIKeyIFZSWNPDQLDYOY-QGZVFWFLSA-N
MW429.48 g/mol
LogP4.18
Rot. Bonds6

About N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide

N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide (PubChem CID 40920170) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
PubChem CID40920170
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC NameN-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
SMILESC[C@@H](NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C25H23N3O4/c1-17(19-7-10-22-23(14-19)31-13-12-30-22)26-25(29)18-5-8-21(9-6-18)32-16-20-15-28-11-3-2-4-24(28)27-20/h2-11,14-15,17H,12-13,16H2,1H3,(H,26,29)/t17-/m1/s1
InChIKeyIFZSWNPDQLDYOY-QGZVFWFLSA-N
XLogP4.18
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 55579517
N-[1-(3-chlorophenyl)ethyl]-3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 51111213
4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 27861009
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-prop-2-enoxybenzamide
CID 133230488
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-[5-methyl-4-(phenoxymethyl)-1,3-oxazol-2-yl]benzamide
CID 92742928
N-[1-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 86894155
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-iodobenzamide
CID 27839938
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(2S)-4-methoxybutan-2-yl]benzamide
CID 52843285
N-(3,5-difluorophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
CID 25406496
4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 40723884
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55579728
4-bromo-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzamide
CID 6552812

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?
The IUPAC name of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide (CID 40920170) is N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide is C[C@@H](NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?
The InChIKey is IFZSWNPDQLDYOY-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-17(19-7-10-22-23(14-19)31-13-12-30-22)26-25(29)18-5-8-21(9-6-18)32-16-20-15-28-11-3-2-4-24(28)27-20/h2-11,14-15,17H,12-13,16H2,1H3,(H,26,29)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide has a molecular weight of 429.48 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 40920170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).