N-(1,3-benzodioxol-5-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide

C16H13N3O3 — CID 42939704

IUPACN-(1,3-benzodioxol-5-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
SMILESO=C(Cc1cn2ccccc2n1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C16H13N3O3/c20-16(8-12-9-19-6-2-1-3-15(19)17-12)18-11-4-5-13-14(7-11)22-10-21-13/h1-7,9H,8,10H2,(H,18,20)
InChIKeyABNDYGSFDUMWQQ-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.24
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide

N-(1,3-benzodioxol-5-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide (PubChem CID 42939704) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
PubChem CID42939704
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
SMILESO=C(Cc1cn2ccccc2n1)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C16H13N3O3/c20-16(8-12-9-19-6-2-1-3-15(19)17-12)18-11-4-5-13-14(7-11)22-10-21-13/h1-7,9H,8,10H2,(H,18,20)
InChIKeyABNDYGSFDUMWQQ-UHFFFAOYSA-N
XLogP2.24
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 53153760
[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246843
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide
CID 7214219
N-(1,3-benzodioxol-5-yl)-2-(2-bromophenyl)acetamide
CID 113098813
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]acetic acid
CID 43170541
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)propanamide
CID 41451970
2-(11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl)-N-(1,3-benzodioxol-5-yl)acetamide
CID 127347117
N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 167755992
1-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 71757293
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417
1-(1,3-benzodioxol-5-yl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)urea
CID 71942654
N-(1,3-benzodioxol-5-yl)-2-methylsulfanylacetamide
CID 8700974

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide (CID 42939704) is N-(1,3-benzodioxol-5-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide is O=C(Cc1cn2ccccc2n1)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide?
The InChIKey is ABNDYGSFDUMWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c20-16(8-12-9-19-6-2-1-3-15(19)17-12)18-11-4-5-13-14(7-11)22-10-21-13/h1-7,9H,8,10H2,(H,18,20).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide?
N-(1,3-benzodioxol-5-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide has a molecular weight of 295.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide is sourced from PubChem (CID 42939704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).