4-tert-butyl-N-[3-[5-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide

C35H41N5O3 — CID 24901230

About 4-tert-butyl-N-[3-[5-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide

4-tert-butyl-N-[3-[5-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide (PubChem CID 24901230) has the molecular formula C35H41N5O3 and a molecular weight of 579.75 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[5-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide.

Molecular Properties

• Compound Name: 4-tert-butyl-N-[3-[5-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide
• PubChem CID: 24901230
• Molecular Formula: C35H41N5O3
• Molecular Weight: 579.75 g/mol
• Exact Mass: 579.32
• IUPAC Name: 4-tert-butyl-N-[3-[5-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide
• SMILES: COC1CCN(c2ccc(Nc3cc(-c4cccc(NC(=O)c5ccc(C(C)(C)C)cc5)c4C)cn(C)c3=O)nc2)CC1
• InChI: InChI=1S/C35H41N5O3/c1-23-29(8-7-9-30(23)38-33(41)24-10-12-26(13-11-24)35(2,3)4)25-20-31(34(42)39(5)22-25)37-32-15-14-27(21-36-32)40-18-16-28(43-6)17-19-40/h7-15,20-22,28H,16-19H2,1-6H3,(H,36,37)(H,38,41)
• InChIKey: VWFHPMXGMHEHGP-UHFFFAOYSA-N
• XLogP: 6.66
• TPSA: 88.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.75
LogP ≤ 5	6.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[5-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide?

The IUPAC name of 4-tert-butyl-N-[3-[5-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide (CID 24901230) is 4-tert-butyl-N-[3-[5-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide.

What is the SMILES notation for 4-tert-butyl-N-[3-[5-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide?

The canonical SMILES for 4-tert-butyl-N-[3-[5-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide is COC1CCN(c2ccc(Nc3cc(-c4cccc(NC(=O)c5ccc(C(C)(C)C)cc5)c4C)cn(C)c3=O)nc2)CC1.

What is the InChIKey of 4-tert-butyl-N-[3-[5-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide?

The InChIKey is VWFHPMXGMHEHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N5O3/c1-23-29(8-7-9-30(23)38-33(41)24-10-12-26(13-11-24)35(2,3)4)25-20-31(34(42)39(5)22-25)37-32-15-14-27(21-36-32)40-18-16-28(43-6)17-19-40/h7-15,20-22,28H,16-19H2,1-6H3,(H,36,37)(H,38,41).

What are the key properties of 4-tert-butyl-N-[3-[5-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide?

4-tert-butyl-N-[3-[5-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide has a molecular weight of 579.75 g/mol, XLogP of 6.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-[3-[5-[[5-(4-methoxypiperidin-1-yl)-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-methylphenyl]benzamide is sourced from PubChem (CID 24901230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).