1-N-benzyl-3-N,3-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C22H30N4O2 — CID 109076187

IUPAC1-N-benzyl-3-N,3-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1nc(C(=O)NCc2ccccc2)c2n1CCCC2
InChIInChI=1S/C22H30N4O2/c1-3-13-25(14-4-2)22(28)20-24-19(18-12-8-9-15-26(18)20)21(27)23-16-17-10-6-5-7-11-17/h5-7,10-11H,3-4,8-9,12-16H2,1-2H3,(H,23,27)
InChIKeyQWISQVGMOFGLPS-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.41
Rot. Bonds8

About 1-N-benzyl-3-N,3-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-benzyl-3-N,3-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109076187) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-N-benzyl-3-N,3-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-3-N,3-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109076187
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name1-N-benzyl-3-N,3-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1nc(C(=O)NCc2ccccc2)c2n1CCCC2
InChIInChI=1S/C22H30N4O2/c1-3-13-25(14-4-2)22(28)20-24-19(18-12-8-9-15-26(18)20)21(27)23-16-17-10-6-5-7-11-17/h5-7,10-11H,3-4,8-9,12-16H2,1-2H3,(H,23,27)
InChIKeyQWISQVGMOFGLPS-UHFFFAOYSA-N
XLogP3.41
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-benzyl-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076179
3-N-benzyl-1-N,1-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076204
1-N-benzyl-3-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075686
1-N-benzyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072584
1-N-(2-methylpropyl)-3-N,3-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073642
3-N-benzyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073048
3-N-benzyl-1-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076217
N-benzyl-1-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109074526
3-N-benzyl-1-N-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074342
1-N-benzyl-3-N-cycloheptyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076181
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
1-N-(5-methyl-1,2-oxazol-3-yl)-3-N,3-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077375

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-3-N,3-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-benzyl-3-N,3-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109076187) is 1-N-benzyl-3-N,3-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-3-N,3-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-benzyl-3-N,3-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCCN(CCC)C(=O)c1nc(C(=O)NCc2ccccc2)c2n1CCCC2.
What is the InChIKey of 1-N-benzyl-3-N,3-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is QWISQVGMOFGLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-3-13-25(14-4-2)22(28)20-24-19(18-12-8-9-15-26(18)20)21(27)23-16-17-10-6-5-7-11-17/h5-7,10-11H,3-4,8-9,12-16H2,1-2H3,(H,23,27).
What are the key properties of 1-N-benzyl-3-N,3-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-benzyl-3-N,3-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-3-N,3-N-dipropyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109076187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).