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

C21H32N4O2 — CID 109073837

IUPAC1-N-butan-2-yl-3-N-[2-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCC(C)NC(=O)c1nc(C(=O)NCCC2=CCCCC2)n2c1CCCC2
InChIInChI=1S/C21H32N4O2/c1-3-15(2)23-20(26)18-17-11-7-8-14-25(17)19(24-18)21(27)22-13-12-16-9-5-4-6-10-16/h9,15H,3-8,10-14H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyPMBRNGCBVPRDKO-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.37
Rot. Bonds7

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

1-N-butan-2-yl-3-N-[2-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109073837) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-N-butan-2-yl-3-N-[2-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-butan-2-yl-3-N-[2-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109073837
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC Name1-N-butan-2-yl-3-N-[2-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCCC(C)NC(=O)c1nc(C(=O)NCCC2=CCCCC2)n2c1CCCC2
InChIInChI=1S/C21H32N4O2/c1-3-15(2)23-20(26)18-17-11-7-8-14-25(17)19(24-18)21(27)22-13-12-16-9-5-4-6-10-16/h9,15H,3-8,10-14H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyPMBRNGCBVPRDKO-UHFFFAOYSA-N
XLogP3.37
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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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
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
1-N-butan-2-yl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072565
3-N-butan-2-yl-1-N-pentyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074006
1-N-butan-2-yl-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073890
3-N-[2-(dimethylamino)ethyl]-1-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072422
3-N-butan-2-yl-1-N-[(2-fluorophenyl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073978
1-N-(1-phenylethyl)-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072279
1-N-butan-2-yl-3-N-(3-chloro-4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073922
3-N-butan-2-yl-1-N-(4-ethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074026
1-N-butan-2-yl-3-N-(5-chloro-2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073920
1-N-(3-methylbutyl)-3-N-(2-methylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073760

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-3-N-[2-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 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) is 1-N-butan-2-yl-3-N-[2-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-butan-2-yl-3-N-[2-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-butan-2-yl-3-N-[2-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is CCC(C)NC(=O)c1nc(C(=O)NCCC2=CCCCC2)n2c1CCCC2.
What is the InChIKey of 1-N-butan-2-yl-3-N-[2-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is PMBRNGCBVPRDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-3-15(2)23-20(26)18-17-11-7-8-14-25(17)19(24-18)21(27)22-13-12-16-9-5-4-6-10-16/h9,15H,3-8,10-14H2,1-2H3,(H,22,27)(H,23,26).
What are the key properties of 1-N-butan-2-yl-3-N-[2-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-butan-2-yl-3-N-[2-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 372.51 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-yl-3-N-[2-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109073837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).