[2-[benzyl(methyl)amino]-6-phenyl-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

C29H34N4O — CID 59727234

About [2-[benzyl(methyl)amino]-6-phenyl-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

[2-[benzyl(methyl)amino]-6-phenyl-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 59727234) has the molecular formula C29H34N4O and a molecular weight of 454.62 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-6-phenyl-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [2-[benzyl(methyl)amino]-6-phenyl-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
• PubChem CID: 59727234
• Molecular Formula: C29H34N4O
• Molecular Weight: 454.62 g/mol
• Exact Mass: 454.27
• IUPAC Name: [2-[benzyl(methyl)amino]-6-phenyl-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
• SMILES: CN(Cc1ccccc1)c1cc(C(=O)N2CCC[C@H]2CN2CCCC2)cc(-c2ccccc2)n1
• InChI: InChI=1S/C29H34N4O/c1-31(21-23-11-4-2-5-12-23)28-20-25(19-27(30-28)24-13-6-3-7-14-24)29(34)33-18-10-15-26(33)22-32-16-8-9-17-32/h2-7,11-14,19-20,26H,8-10,15-18,21-22H2,1H3/t26-/m0/s1
• InChIKey: SIHRZVMNJBZVPX-SANMLTNESA-N
• XLogP: 5.09
• TPSA: 39.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.62
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-6-phenyl-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?

The IUPAC name of [2-[benzyl(methyl)amino]-6-phenyl-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 59727234) is [2-[benzyl(methyl)amino]-6-phenyl-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone.

What is the SMILES notation for [2-[benzyl(methyl)amino]-6-phenyl-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?

The canonical SMILES for [2-[benzyl(methyl)amino]-6-phenyl-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone is CN(Cc1ccccc1)c1cc(C(=O)N2CCC[C@H]2CN2CCCC2)cc(-c2ccccc2)n1.

What is the InChIKey of [2-[benzyl(methyl)amino]-6-phenyl-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?

The InChIKey is SIHRZVMNJBZVPX-SANMLTNESA-N. The full InChI is InChI=1S/C29H34N4O/c1-31(21-23-11-4-2-5-12-23)28-20-25(19-27(30-28)24-13-6-3-7-14-24)29(34)33-18-10-15-26(33)22-32-16-8-9-17-32/h2-7,11-14,19-20,26H,8-10,15-18,21-22H2,1H3/t26-/m0/s1.

What are the key properties of [2-[benzyl(methyl)amino]-6-phenyl-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone?

[2-[benzyl(methyl)amino]-6-phenyl-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 454.62 g/mol, XLogP of 5.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[benzyl(methyl)amino]-6-phenyl-4-pyridinyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 59727234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).