1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H26N4O4 — CID 109073984

IUPAC1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCC(C)NC(=O)c1nc(C(=O)NCc2ccc3c(c2)OCO3)c2n1CCCC2
InChIInChI=1S/C21H26N4O4/c1-3-13(2)23-21(27)19-24-18(15-6-4-5-9-25(15)19)20(26)22-11-14-7-8-16-17(10-14)29-12-28-16/h7-8,10,13H,3-6,9,11-12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyLLAVPHBFWOTKET-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.41
Rot. Bonds6

About 1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109073984) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109073984
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCC(C)NC(=O)c1nc(C(=O)NCc2ccc3c(c2)OCO3)c2n1CCCC2
InChIInChI=1S/C21H26N4O4/c1-3-13(2)23-21(27)19-24-18(15-6-4-5-9-25(15)19)20(26)22-11-14-7-8-16-17(10-14)29-12-28-16/h7-8,10,13H,3-6,9,11-12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyLLAVPHBFWOTKET-UHFFFAOYSA-N
XLogP2.41
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide with MolForge

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Related Compounds

1-N-(1,3-benzodioxol-5-ylmethyl)-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076390
3-N-butan-2-yl-1-N-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073978
1-N-benzyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072584
3-N-butan-2-yl-1-N-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074026
3-N-butan-2-yl-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074006
1-N-(3-acetamidophenyl)-3-N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074056
3-N-[(4-chlorophenyl)methyl]-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072439
3-N-[(4-methylphenyl)methyl]-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073607
3-N-(1,3-benzodioxol-5-yl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076825
1-N-butan-2-yl-3-N-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073922
3-N-[(3-methylphenyl)methyl]-1-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072122
1-N-butan-2-yl-3-N-(5-chloro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073920

Frequently Asked Questions

What is the IUPAC name of 1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109073984) is 1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCC(C)NC(=O)c1nc(C(=O)NCc2ccc3c(c2)OCO3)c2n1CCCC2.
What is the InChIKey of 1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is LLAVPHBFWOTKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-3-13(2)23-21(27)19-24-18(15-6-4-5-9-25(15)19)20(26)22-11-14-7-8-16-17(10-14)29-12-28-16/h7-8,10,13H,3-6,9,11-12H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 398.46 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,3-benzodioxol-5-ylmethyl)-3-N-butan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109073984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).