[6-(2,6-diethylphenyl)-2-methyl-3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone

C33H41N3O — CID 66993792

About [6-(2,6-diethylphenyl)-2-methyl-3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone

[6-(2,6-diethylphenyl)-2-methyl-3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 66993792) has the molecular formula C33H41N3O and a molecular weight of 495.71 g/mol. Its IUPAC name is [6-(2,6-diethylphenyl)-2-methyl-3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

• Compound Name: [6-(2,6-diethylphenyl)-2-methyl-3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
• PubChem CID: 66993792
• Molecular Formula: C33H41N3O
• Molecular Weight: 495.71 g/mol
• Exact Mass: 495.32
• IUPAC Name: [6-(2,6-diethylphenyl)-2-methyl-3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
• SMILES: CCc1cccc(CC)c1-c1cc(C(=O)N2CCCC2)c(CN(C)C2CCCc3ccccc32)c(C)n1
• InChI: InChI=1S/C33H41N3O/c1-5-24-14-11-15-25(6-2)32(24)30-21-28(33(37)36-19-9-10-20-36)29(23(3)34-30)22-35(4)31-18-12-16-26-13-7-8-17-27(26)31/h7-8,11,13-15,17,21,31H,5-6,9-10,12,16,18-20,22H2,1-4H3
• InChIKey: VMGLBJOGTMPTFT-UHFFFAOYSA-N
• XLogP: 6.93
• TPSA: 36.44 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.71
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [6-(2,6-diethylphenyl)-2-methyl-3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?

The IUPAC name of [6-(2,6-diethylphenyl)-2-methyl-3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone (CID 66993792) is [6-(2,6-diethylphenyl)-2-methyl-3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone.

What is the SMILES notation for [6-(2,6-diethylphenyl)-2-methyl-3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?

The canonical SMILES for [6-(2,6-diethylphenyl)-2-methyl-3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone is CCc1cccc(CC)c1-c1cc(C(=O)N2CCCC2)c(CN(C)C2CCCc3ccccc32)c(C)n1.

What is the InChIKey of [6-(2,6-diethylphenyl)-2-methyl-3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?

The InChIKey is VMGLBJOGTMPTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N3O/c1-5-24-14-11-15-25(6-2)32(24)30-21-28(33(37)36-19-9-10-20-36)29(23(3)34-30)22-35(4)31-18-12-16-26-13-7-8-17-27(26)31/h7-8,11,13-15,17,21,31H,5-6,9-10,12,16,18-20,22H2,1-4H3.

What are the key properties of [6-(2,6-diethylphenyl)-2-methyl-3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone?

[6-(2,6-diethylphenyl)-2-methyl-3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 495.71 g/mol, XLogP of 6.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(2,6-diethylphenyl)-2-methyl-3-[[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 66993792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).