3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide

C26H29N3O — CID 22551204

IUPAC3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NC3CCCc4ccccc43)c3n2CCCCC3)cc1
InChIInChI=1S/C26H29N3O/c1-18-13-15-20(16-14-18)25-28-24(23-12-3-2-6-17-29(23)25)26(30)27-22-11-7-9-19-8-4-5-10-21(19)22/h4-5,8,10,13-16,22H,2-3,6-7,9,11-12,17H2,1H3,(H,27,30)
InChIKeyQEIPRJQSNMGXDA-UHFFFAOYSA-N
MW399.54 g/mol
LogP5.39
Rot. Bonds3

About 3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide

3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide (PubChem CID 22551204) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
PubChem CID22551204
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC Name3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
SMILESCc1ccc(-c2nc(C(=O)NC3CCCc4ccccc43)c3n2CCCCC3)cc1
InChIInChI=1S/C26H29N3O/c1-18-13-15-20(16-14-18)25-28-24(23-12-3-2-6-17-29(23)25)26(30)27-22-11-7-9-19-8-4-5-10-21(19)22/h4-5,8,10,13-16,22H,2-3,6-7,9,11-12,17H2,1H3,(H,27,30)
InChIKeyQEIPRJQSNMGXDA-UHFFFAOYSA-N
XLogP5.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.54
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide with MolForge

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Related Compounds

4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,8-triazatricyclo[7.5.0.02,7]tetradeca-2,4,6,8-tetraene-6-carboxamide
CID 46547590
3-(4-methylphenyl)-N-pyridin-2-yl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 45106502
4-methyl-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
CID 40647285
4-methyl-2-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxamide
CID 40647286
N-(2-methoxyphenyl)-3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 22551110
4-methyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8-triene-5-carboxamide
CID 22520847
1-(4-methylphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-triazole-3-carboxamide
CID 93016508
2-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)quinoline-4-carboxamide
CID 5045175
3-(4-methylphenyl)-N-(5-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 22551206
1-[(4-methylphenyl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 94024025
2,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 121318927
4-(2-pyrrolidin-1-ylpyrimidin-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 95086250

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide (CID 22551204) is 3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide is Cc1ccc(-c2nc(C(=O)NC3CCCc4ccccc43)c3n2CCCCC3)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?
The InChIKey is QEIPRJQSNMGXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c1-18-13-15-20(16-14-18)25-28-24(23-12-3-2-6-17-29(23)25)26(30)27-22-11-7-9-19-8-4-5-10-21(19)22/h4-5,8,10,13-16,22H,2-3,6-7,9,11-12,17H2,1H3,(H,27,30).
What are the key properties of 3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide?
3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide is sourced from PubChem (CID 22551204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).