3-N-benzyl-1-N-(4-cyanophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C23H21N5O2 — CID 109076224

IUPAC3-N-benzyl-1-N-(4-cyanophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESN#Cc1ccc(NC(=O)c2nc(C(=O)NCc3ccccc3)n3c2CCCC3)cc1
InChIInChI=1S/C23H21N5O2/c24-14-16-9-11-18(12-10-16)26-22(29)20-19-8-4-5-13-28(19)21(27-20)23(30)25-15-17-6-2-1-3-7-17/h1-3,6-7,9-12H,4-5,8,13,15H2,(H,25,30)(H,26,29)
InChIKeyWSVMVLYFKGXCGX-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.27
Rot. Bonds5

About 3-N-benzyl-1-N-(4-cyanophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-benzyl-1-N-(4-cyanophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109076224) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-N-benzyl-1-N-(4-cyanophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-benzyl-1-N-(4-cyanophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109076224
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name3-N-benzyl-1-N-(4-cyanophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESN#Cc1ccc(NC(=O)c2nc(C(=O)NCc3ccccc3)n3c2CCCC3)cc1
InChIInChI=1S/C23H21N5O2/c24-14-16-9-11-18(12-10-16)26-22(29)20-19-8-4-5-13-28(19)21(27-20)23(30)25-15-17-6-2-1-3-7-17/h1-3,6-7,9-12H,4-5,8,13,15H2,(H,25,30)(H,26,29)
InChIKeyWSVMVLYFKGXCGX-UHFFFAOYSA-N
XLogP3.27
TPSA99.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-benzyl-1-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076217
1-N-phenyl-3-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076518
1-N-benzyl-3-N-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076195
3-N-(4-cyanophenyl)-1-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076123
1-N-[(4-fluorophenyl)methyl]-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076351
3-N-benzyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073048
3-N-(4-cyanophenyl)-1-N,1-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076675
N-(4-cyanophenyl)-1-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109074597
N-benzyl-1-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109074526
1-N-benzyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072584
3-N-benzyl-1-N-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074342
3-N-phenyl-1-N-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076535

Frequently Asked Questions

What is the IUPAC name of 3-N-benzyl-1-N-(4-cyanophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-benzyl-1-N-(4-cyanophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109076224) is 3-N-benzyl-1-N-(4-cyanophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-benzyl-1-N-(4-cyanophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-benzyl-1-N-(4-cyanophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is N#Cc1ccc(NC(=O)c2nc(C(=O)NCc3ccccc3)n3c2CCCC3)cc1.
What is the InChIKey of 3-N-benzyl-1-N-(4-cyanophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is WSVMVLYFKGXCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c24-14-16-9-11-18(12-10-16)26-22(29)20-19-8-4-5-13-28(19)21(27-20)23(30)25-15-17-6-2-1-3-7-17/h1-3,6-7,9-12H,4-5,8,13,15H2,(H,25,30)(H,26,29).
What are the key properties of 3-N-benzyl-1-N-(4-cyanophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-benzyl-1-N-(4-cyanophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 399.45 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-benzyl-1-N-(4-cyanophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109076224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).