3-(azepane-1-carbonyl)-N-butyl-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

C20H32N4O2 — CID 109077149

IUPAC3-(azepane-1-carbonyl)-N-butyl-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCCCCN(C)C(=O)c1nc(C(=O)N2CCCCCC2)n2c1CCCC2
InChIInChI=1S/C20H32N4O2/c1-3-4-12-22(2)19(25)17-16-11-7-10-15-24(16)18(21-17)20(26)23-13-8-5-6-9-14-23/h3-15H2,1-2H3
InChIKeyOFTQABISVWVYCU-UHFFFAOYSA-N
MW360.50 g/mol
LogP3.11
Rot. Bonds5

About 3-(azepane-1-carbonyl)-N-butyl-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

3-(azepane-1-carbonyl)-N-butyl-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 109077149) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 3-(azepane-1-carbonyl)-N-butyl-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-(azepane-1-carbonyl)-N-butyl-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID109077149
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name3-(azepane-1-carbonyl)-N-butyl-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCCCCN(C)C(=O)c1nc(C(=O)N2CCCCCC2)n2c1CCCC2
InChIInChI=1S/C20H32N4O2/c1-3-4-12-22(2)19(25)17-16-11-7-10-15-24(16)18(21-17)20(26)23-13-8-5-6-9-14-23/h3-15H2,1-2H3
InChIKeyOFTQABISVWVYCU-UHFFFAOYSA-N
XLogP3.11
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-butyl-3-N-cyclohexyl-1-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074782
1-N-butyl-1-N,3-N-dimethyl-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077154
1-N-butyl-3-N-(2-methoxyethyl)-1-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075107
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-butyl-N-methyl-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 6626025
1-N-butyl-3-N-(3,5-dimethylphenyl)-1-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077160
azepan-1-yl-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
CID 109074257
N-butyl-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109077187
3-N-butyl-3-N-methyl-1-N-prop-2-enyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109073092
3-N-benzyl-1-N-butyl-3-N-ethyl-1-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076403
1-N-butyl-1-N-methyl-3-N-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109077151
1-N-butyl-1-N-methyl-3-N-(3-phenylpropyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109076763

Frequently Asked Questions

What is the IUPAC name of 3-(azepane-1-carbonyl)-N-butyl-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-(azepane-1-carbonyl)-N-butyl-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 109077149) is 3-(azepane-1-carbonyl)-N-butyl-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-(azepane-1-carbonyl)-N-butyl-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-(azepane-1-carbonyl)-N-butyl-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is CCCCN(C)C(=O)c1nc(C(=O)N2CCCCCC2)n2c1CCCC2.
What is the InChIKey of 3-(azepane-1-carbonyl)-N-butyl-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is OFTQABISVWVYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-3-4-12-22(2)19(25)17-16-11-7-10-15-24(16)18(21-17)20(26)23-13-8-5-6-9-14-23/h3-15H2,1-2H3.
What are the key properties of 3-(azepane-1-carbonyl)-N-butyl-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
3-(azepane-1-carbonyl)-N-butyl-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepane-1-carbonyl)-N-butyl-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 109077149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).