N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide

C20H21N3O3 — CID 110426409

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)Cc1nc(C(=O)Nc2ccc3c(c2)OCCO3)c2ccccn12
InChIInChI=1S/C20H21N3O3/c1-13(2)11-18-22-19(15-5-3-4-8-23(15)18)20(24)21-14-6-7-16-17(12-14)26-10-9-25-16/h3-8,12-13H,9-11H2,1-2H3,(H,21,24)
InChIKeyKUQMTZXPAWSVQS-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.56
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 110426409) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID110426409
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCC(C)Cc1nc(C(=O)Nc2ccc3c(c2)OCCO3)c2ccccn12
InChIInChI=1S/C20H21N3O3/c1-13(2)11-18-22-19(15-5-3-4-8-23(15)18)20(24)21-14-6-7-16-17(12-14)26-10-9-25-16/h3-8,12-13H,9-11H2,1-2H3,(H,21,24)
InChIKeyKUQMTZXPAWSVQS-UHFFFAOYSA-N
XLogP3.56
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110423911
3-(2-methylpropyl)-N-(3-morpholin-4-ylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110612966
1-N-butyl-3-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067236
N-(2-acetamidoethyl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110674791
3-N-(1,3-benzodioxol-5-yl)-1-N-butylimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109067235
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
CID 28934755
3-ethyl-N-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110674606
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-indol-1-ylacetamide
CID 39339095
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 7024220
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043993
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylbutanamide
CID 2948413
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-diphenylacetamide
CID 872269

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide (CID 110426409) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide is CC(C)Cc1nc(C(=O)Nc2ccc3c(c2)OCCO3)c2ccccn12.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is KUQMTZXPAWSVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13(2)11-18-22-19(15-5-3-4-8-23(15)18)20(24)21-14-6-7-16-17(12-14)26-10-9-25-16/h3-8,12-13H,9-11H2,1-2H3,(H,21,24).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 110426409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).