N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide

C19H19N3O5S — CID 47781283

IUPACN-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)c1nc(S(C)(=O)=O)n2ccccc12
InChIInChI=1S/C19H19N3O5S/c1-3-21(11-13-7-8-15-16(10-13)27-12-26-15)18(23)17-14-6-4-5-9-22(14)19(20-17)28(2,24)25/h4-10H,3,11-12H2,1-2H3
InChIKeyDZGOLPZTHRCWTP-UHFFFAOYSA-N
MW401.44 g/mol
LogP2.13
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 47781283) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID47781283
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)c1nc(S(C)(=O)=O)n2ccccc12
InChIInChI=1S/C19H19N3O5S/c1-3-21(11-13-7-8-15-16(10-13)27-12-26-15)18(23)17-14-6-4-5-9-22(14)19(20-17)28(2,24)25/h4-10H,3,11-12H2,1-2H3
InChIKeyDZGOLPZTHRCWTP-UHFFFAOYSA-N
XLogP2.13
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 120649325
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N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide
CID 51094701
3-(benzenesulfonylmethyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylfuran-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide (CID 47781283) is N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide is CCN(Cc1ccc2c(c1)OCO2)C(=O)c1nc(S(C)(=O)=O)n2ccccc12.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is DZGOLPZTHRCWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-3-21(11-13-7-8-15-16(10-13)27-12-26-15)18(23)17-14-6-4-5-9-22(14)19(20-17)28(2,24)25/h4-10H,3,11-12H2,1-2H3.
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 401.44 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methylsulfonylimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 47781283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).