3-N-(4-acetamidophenyl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C21H27N5O3 — CID 109076819

IUPAC3-N-(4-acetamidophenyl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2nc(C(=O)NC(C)(C)C)c3n2CCCC3)cc1
InChIInChI=1S/C21H27N5O3/c1-13(27)22-14-8-10-15(11-9-14)23-20(29)18-24-17(19(28)25-21(2,3)4)16-7-5-6-12-26(16)18/h8-11H,5-7,12H2,1-4H3,(H,22,27)(H,23,29)(H,25,28)
InChIKeyKVRUZNWZCJMOOH-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.96
Rot. Bonds4

About 3-N-(4-acetamidophenyl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-(4-acetamidophenyl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109076819) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 3-N-(4-acetamidophenyl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-acetamidophenyl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109076819
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name3-N-(4-acetamidophenyl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2nc(C(=O)NC(C)(C)C)c3n2CCCC3)cc1
InChIInChI=1S/C21H27N5O3/c1-13(27)22-14-8-10-15(11-9-14)23-20(29)18-24-17(19(28)25-21(2,3)4)16-7-5-6-12-26(16)18/h8-11H,5-7,12H2,1-4H3,(H,22,27)(H,23,29)(H,25,28)
InChIKeyKVRUZNWZCJMOOH-UHFFFAOYSA-N
XLogP2.96
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-N-(4-acetamidophenyl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-tert-butyl-3-N-(3-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076776
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-tert-butyl-3-N-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076793
1-N,3-N-diphenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077427
1-N-tert-butyl-3-N-(5-chloro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076804
1-N-(4-acetamidophenyl)-3-N,3-N-diethyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076737
1-N-butyl-3-N-(4-tert-butylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073419
1-N-propan-2-yl-3-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072528
1-N-tert-butyl-3-N-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074778
3-N-tert-butyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073087
3-N-(4-methylphenyl)-1-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073647
1-N-(3-acetamidophenyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072685

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-acetamidophenyl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-(4-acetamidophenyl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109076819) is 3-N-(4-acetamidophenyl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(4-acetamidophenyl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-(4-acetamidophenyl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CC(=O)Nc1ccc(NC(=O)c2nc(C(=O)NC(C)(C)C)c3n2CCCC3)cc1.
What is the InChIKey of 3-N-(4-acetamidophenyl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is KVRUZNWZCJMOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-13(27)22-14-8-10-15(11-9-14)23-20(29)18-24-17(19(28)25-21(2,3)4)16-7-5-6-12-26(16)18/h8-11H,5-7,12H2,1-4H3,(H,22,27)(H,23,29)(H,25,28).
What are the key properties of 3-N-(4-acetamidophenyl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-(4-acetamidophenyl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 397.48 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-acetamidophenyl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109076819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).