3-N-tert-butyl-1-N-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C18H28N4O2 — CID 109074364

IUPAC3-N-tert-butyl-1-N-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)(C)NC(=O)c1nc(C(=O)NC2CCCC2)c2n1CCCC2
InChIInChI=1S/C18H28N4O2/c1-18(2,3)21-17(24)15-20-14(13-10-6-7-11-22(13)15)16(23)19-12-8-4-5-9-12/h12H,4-11H2,1-3H3,(H,19,23)(H,21,24)
InChIKeyNEBYNWYEXYSGII-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.42
Rot. Bonds3

About 3-N-tert-butyl-1-N-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-tert-butyl-1-N-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109074364) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 3-N-tert-butyl-1-N-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-tert-butyl-1-N-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109074364
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name3-N-tert-butyl-1-N-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)(C)NC(=O)c1nc(C(=O)NC2CCCC2)c2n1CCCC2
InChIInChI=1S/C18H28N4O2/c1-18(2,3)21-17(24)15-20-14(13-10-6-7-11-22(13)15)16(23)19-12-8-4-5-9-12/h12H,4-11H2,1-3H3,(H,19,23)(H,21,24)
InChIKeyNEBYNWYEXYSGII-UHFFFAOYSA-N
XLogP2.42
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-N-tert-butyl-3-N-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074778
3-N-cycloheptyl-1-N-cyclohexyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074720
3-N-butyl-1-N-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073463
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-cycloheptyl-1-N-[2-(dimethylamino)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075626
1-N-cyclopropyl-3-N-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072798
N-cyclohexyl-1-(4-methylpiperazine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109074761
3-N-benzyl-1-N-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074342
3-N-cyclohexyl-1-N-(2,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074793
3-N-cyclopentyl-1-N-(4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074492
3-N-cyclopentyl-1-N-(3,4-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074474
3-N-(4-acetamidophenyl)-1-N-tert-butyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076819

Frequently Asked Questions

What is the IUPAC name of 3-N-tert-butyl-1-N-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-tert-butyl-1-N-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109074364) is 3-N-tert-butyl-1-N-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-tert-butyl-1-N-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-tert-butyl-1-N-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CC(C)(C)NC(=O)c1nc(C(=O)NC2CCCC2)c2n1CCCC2.
What is the InChIKey of 3-N-tert-butyl-1-N-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is NEBYNWYEXYSGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-18(2,3)21-17(24)15-20-14(13-10-6-7-11-22(13)15)16(23)19-12-8-4-5-9-12/h12H,4-11H2,1-3H3,(H,19,23)(H,21,24).
What are the key properties of 3-N-tert-butyl-1-N-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-tert-butyl-1-N-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-tert-butyl-1-N-cyclopentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109074364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).