4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)butanamide

C21H23N3O3 — CID 110354647

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)butanamide
SMILESO=C(CCCc1ccc2c(c1)OCCO2)NCCc1ncc2ccccn12
InChIInChI=1S/C21H23N3O3/c25-21(22-10-9-20-23-15-17-5-1-2-11-24(17)20)6-3-4-16-7-8-18-19(14-16)27-13-12-26-18/h1-2,5,7-8,11,14-15H,3-4,6,9-10,12-13H2,(H,22,25)
InChIKeyYDZFKALYPYBSBZ-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.79
Rot. Bonds7

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)butanamide

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)butanamide (PubChem CID 110354647) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)butanamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)butanamide
PubChem CID110354647
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)butanamide
SMILESO=C(CCCc1ccc2c(c1)OCCO2)NCCc1ncc2ccccn12
InChIInChI=1S/C21H23N3O3/c25-21(22-10-9-20-23-15-17-5-1-2-11-24(17)20)6-3-4-16-7-8-18-19(14-16)27-13-12-26-18/h1-2,5,7-8,11,14-15H,3-4,6,9-10,12-13H2,(H,22,25)
InChIKeyYDZFKALYPYBSBZ-UHFFFAOYSA-N
XLogP2.79
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-phenylpropyl)propanamide
CID 31946678
3-amino-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide;hydrochloride
CID 119266691
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 110309579
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-pyridin-3-ylbutanamide
CID 110606610
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]-3-phenoxypropanamide
CID 110314174
4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-4-oxobutanoic acid
CID 9152135
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)butyl]acetamide
CID 110633665
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]acetamide
CID 71708718
N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(1H-pyrazol-4-yl)butanamide
CID 72848010
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(N-methylanilino)ethyl]propanamide
CID 31950054
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropanamide
CID 53288864
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 16574553

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)butanamide?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)butanamide (CID 110354647) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)butanamide.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)butanamide?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)butanamide is O=C(CCCc1ccc2c(c1)OCCO2)NCCc1ncc2ccccn12.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)butanamide?
The InChIKey is YDZFKALYPYBSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-21(22-10-9-20-23-15-17-5-1-2-11-24(17)20)6-3-4-16-7-8-18-19(14-16)27-13-12-26-18/h1-2,5,7-8,11,14-15H,3-4,6,9-10,12-13H2,(H,22,25).
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)butanamide?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)butanamide has a molecular weight of 365.43 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)butanamide is sourced from PubChem (CID 110354647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).