1-(azepane-1-carbonyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide

C18H28N4O3 — CID 109075111

IUPAC1-(azepane-1-carbonyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
SMILESCOCCNC(=O)c1nc(C(=O)N2CCCCCC2)c2n1CCCC2
InChIInChI=1S/C18H28N4O3/c1-25-13-9-19-17(23)16-20-15(14-8-4-7-12-22(14)16)18(24)21-10-5-2-3-6-11-21/h2-13H2,1H3,(H,19,23)
InChIKeyAZXYYXSUBSNYNM-UHFFFAOYSA-N
MW348.45 g/mol
LogP1.61
Rot. Bonds5

About 1-(azepane-1-carbonyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide

1-(azepane-1-carbonyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide (PubChem CID 109075111) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-(azepane-1-carbonyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(azepane-1-carbonyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
PubChem CID109075111
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name1-(azepane-1-carbonyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
SMILESCOCCNC(=O)c1nc(C(=O)N2CCCCCC2)c2n1CCCC2
InChIInChI=1S/C18H28N4O3/c1-25-13-9-19-17(23)16-20-15(14-8-4-7-12-22(14)16)18(24)21-10-5-2-3-6-11-21/h2-13H2,1H3,(H,19,23)
InChIKeyAZXYYXSUBSNYNM-UHFFFAOYSA-N
XLogP1.61
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(piperidine-1-carbonyl)-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109072568
3-N-[3-(dimethylamino)propyl]-1-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074965
1-N-butyl-3-N-(2-methoxyethyl)-1-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075107
azepan-1-yl-[3-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]methanone
CID 109074257
N-(3-methoxypropyl)-3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109075171
1-N-(2,6-dimethylphenyl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075123
3-N-(2-methoxyethyl)-1-N-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075131
N-benzyl-1-(piperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109074526
1-N-(2-methoxyethyl)-3-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075010
N-(3-methoxypropyl)-3-(4-methylpiperidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109074873
1-N-(2-chlorophenyl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075138
1-N-(1,1-dioxothiolan-3-yl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075097

Frequently Asked Questions

What is the IUPAC name of 1-(azepane-1-carbonyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of 1-(azepane-1-carbonyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide (CID 109075111) is 1-(azepane-1-carbonyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for 1-(azepane-1-carbonyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for 1-(azepane-1-carbonyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide is COCCNC(=O)c1nc(C(=O)N2CCCCCC2)c2n1CCCC2.
What is the InChIKey of 1-(azepane-1-carbonyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide?
The InChIKey is AZXYYXSUBSNYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-25-13-9-19-17(23)16-20-15(14-8-4-7-12-22(14)16)18(24)21-10-5-2-3-6-11-21/h2-13H2,1H3,(H,19,23).
What are the key properties of 1-(azepane-1-carbonyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide?
1-(azepane-1-carbonyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepane-1-carbonyl)-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 109075111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).