3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanamide

C24H21N3O3 — CID 41451970

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanamide
SMILESO=C(CCc1ccc2c(c1)OCCO2)Nc1ccc(-c2cn3ccccc3n2)cc1
InChIInChI=1S/C24H21N3O3/c28-24(11-5-17-4-10-21-22(15-17)30-14-13-29-21)25-19-8-6-18(7-9-19)20-16-27-12-2-1-3-23(27)26-20/h1-4,6-10,12,15-16H,5,11,13-14H2,(H,25,28)
InChIKeyDIYAYFCMVFFJNS-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.34
Rot. Bonds5

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanamide

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanamide (PubChem CID 41451970) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanamide
PubChem CID41451970
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanamide
SMILESO=C(CCc1ccc2c(c1)OCCO2)Nc1ccc(-c2cn3ccccc3n2)cc1
InChIInChI=1S/C24H21N3O3/c28-24(11-5-17-4-10-21-22(15-17)30-14-13-29-21)25-19-8-6-18(7-9-19)20-16-27-12-2-1-3-23(27)26-20/h1-4,6-10,12,15-16H,5,11,13-14H2,(H,25,28)
InChIKeyDIYAYFCMVFFJNS-UHFFFAOYSA-N
XLogP4.34
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-iodophenyl)propanamide
CID 17488745
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide
CID 7214219
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 24598093
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18139273
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 24582273
2-(1,3-benzodioxol-5-yl)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 71938461
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246843
2-(1-adamantyl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)acetamide
CID 122284090
N-(1,3-benzodioxol-5-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 42939704
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide
CID 24677174
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)acetamide
CID 37051251
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 24586754

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanamide?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanamide (CID 41451970) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanamide?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanamide is O=C(CCc1ccc2c(c1)OCCO2)Nc1ccc(-c2cn3ccccc3n2)cc1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanamide?
The InChIKey is DIYAYFCMVFFJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c28-24(11-5-17-4-10-21-22(15-17)30-14-13-29-21)25-19-8-6-18(7-9-19)20-16-27-12-2-1-3-23(27)26-20/h1-4,6-10,12,15-16H,5,11,13-14H2,(H,25,28).
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanamide?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanamide has a molecular weight of 399.45 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanamide is sourced from PubChem (CID 41451970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).