3-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C22H34N4O2 — CID 109074952

IUPAC3-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)CCNC(=O)c1nc(C(=O)NCCC2=CCCCC2)n2c1CCCC2
InChIInChI=1S/C22H34N4O2/c1-16(2)11-13-23-21(27)19-18-10-6-7-15-26(18)20(25-19)22(28)24-14-12-17-8-4-3-5-9-17/h8,16H,3-7,9-15H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyQMNAOFPVZCXBIM-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.62
Rot. Bonds8

About 3-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

3-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109074952) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 3-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109074952
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name3-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCC(C)CCNC(=O)c1nc(C(=O)NCCC2=CCCCC2)n2c1CCCC2
InChIInChI=1S/C22H34N4O2/c1-16(2)11-13-23-21(27)19-18-10-6-7-15-26(18)20(25-19)22(28)24-14-12-17-8-4-3-5-9-17/h8,16H,3-7,9-15H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyQMNAOFPVZCXBIM-UHFFFAOYSA-N
XLogP3.62
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073714
1-N-butan-2-yl-3-N-[2-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073837
1-N-(3-methylbutyl)-3-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073760
3-N-butyl-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073513
3-N-[2-(dimethylamino)ethyl]-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075708
3-N-cyclopropyl-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072935
1-N-(2,6-dimethylphenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077010
1-N-(4-methoxyphenyl)-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077026
1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea
CID 110299684
3-N-methyl-1-N-(3-methylbutyl)-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076952
1-N-butyl-1-N-methyl-3-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076994
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methylbutylamino)acetamide
CID 108993945

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 3-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109074952) is 3-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CC(C)CCNC(=O)c1nc(C(=O)NCCC2=CCCCC2)n2c1CCCC2.
What is the InChIKey of 3-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is QMNAOFPVZCXBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-16(2)11-13-23-21(27)19-18-10-6-7-15-26(18)20(25-19)22(28)24-14-12-17-8-4-3-5-9-17/h8,16H,3-7,9-15H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 3-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
3-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 386.54 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(3-methylbutyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109074952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).