1-N-(2-methoxyethyl)-3-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

C20H26N4O3 — CID 109074975

IUPAC1-N-(2-methoxyethyl)-3-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOCCNC(=O)c1nc(C(=O)NC(C)c2ccccc2)n2c1CCCC2
InChIInChI=1S/C20H26N4O3/c1-14(15-8-4-3-5-9-15)22-20(26)18-23-17(19(25)21-11-13-27-2)16-10-6-7-12-24(16)18/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyVSEBGTSIPRXBIQ-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.09
Rot. Bonds7

About 1-N-(2-methoxyethyl)-3-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide

1-N-(2-methoxyethyl)-3-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (PubChem CID 109074975) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-3-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-3-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
PubChem CID109074975
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-N-(2-methoxyethyl)-3-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
SMILESCOCCNC(=O)c1nc(C(=O)NC(C)c2ccccc2)n2c1CCCC2
InChIInChI=1S/C20H26N4O3/c1-14(15-8-4-3-5-9-15)22-20(26)18-23-17(19(25)21-11-13-27-2)16-10-6-7-12-24(16)18/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyVSEBGTSIPRXBIQ-UHFFFAOYSA-N
XLogP2.09
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N-(1-phenylethyl)-3-N-propyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072279
3-N-benzyl-1-N-(2-methoxyethyl)-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109074999
3-(azepane-1-carbonyl)-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 109076293
1-N-benzyl-3-N-propan-2-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109072584
1-(morpholine-4-carbonyl)-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-3-carboxamide
CID 109075341
1-N-(2-chlorophenyl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075138
1-N-benzyl-3-N-(2-methoxyethyl)-1-N-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075081
1-N-(2,6-dimethylphenyl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075123
1-N-(2-methoxyethyl)-3-N-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075010
1-N-(3-methoxypropyl)-3-N-methyl-3-N-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075212
1-N-(2-ethoxyphenyl)-3-N-(2-methoxyethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075149
3-N-(3-methoxypropyl)-1-N-(2-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109075303

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyethyl)-3-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The IUPAC name of 1-N-(2-methoxyethyl)-3-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide (CID 109074975) is 1-N-(2-methoxyethyl)-3-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(2-methoxyethyl)-3-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(2-methoxyethyl)-3-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is COCCNC(=O)c1nc(C(=O)NC(C)c2ccccc2)n2c1CCCC2.
What is the InChIKey of 1-N-(2-methoxyethyl)-3-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
The InChIKey is VSEBGTSIPRXBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14(15-8-4-3-5-9-15)22-20(26)18-23-17(19(25)21-11-13-27-2)16-10-6-7-12-24(16)18/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 1-N-(2-methoxyethyl)-3-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide?
1-N-(2-methoxyethyl)-3-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyethyl)-3-N-(1-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1,3-dicarboxamide is sourced from PubChem (CID 109074975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).