5-[[2-[(2S)-2-[4-[[2-(dimethylamino)-2-oxoethyl]amino]phenyl]-5,5-dimethylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

C25H32N6O4 — CID 175633526

About 5-[[2-[(2S)-2-[4-[[2-(dimethylamino)-2-oxoethyl]amino]phenyl]-5,5-dimethylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

5-[[2-[(2S)-2-[4-[[2-(dimethylamino)-2-oxoethyl]amino]phenyl]-5,5-dimethylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (PubChem CID 175633526) has the molecular formula C25H32N6O4 and a molecular weight of 480.57 g/mol. Its IUPAC name is 5-[[2-[(2S)-2-[4-[[2-(dimethylamino)-2-oxoethyl]amino]phenyl]-5,5-dimethylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[2-[(2S)-2-[4-[[2-(dimethylamino)-2-oxoethyl]amino]phenyl]-5,5-dimethylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
• PubChem CID: 175633526
• Molecular Formula: C25H32N6O4
• Molecular Weight: 480.57 g/mol
• Exact Mass: 480.25
• IUPAC Name: 5-[[2-[(2S)-2-[4-[[2-(dimethylamino)-2-oxoethyl]amino]phenyl]-5,5-dimethylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
• SMILES: CN(C)C(=O)CNc1ccc([C@@H]2CCC(C)(C)CN2C(=O)C(=O)Nc2cncc(C(N)=O)c2)cc1
• InChI: InChI=1S/C25H32N6O4/c1-25(2)10-9-20(16-5-7-18(8-6-16)28-14-21(32)30(3)4)31(15-25)24(35)23(34)29-19-11-17(22(26)33)12-27-13-19/h5-8,11-13,20,28H,9-10,14-15H2,1-4H3,(H2,26,33)(H,29,34)/t20-/m0/s1
• InChIKey: JOBUWBVZEZEPOR-FQEVSTJZSA-N
• XLogP: 2.01
• TPSA: 137.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.57
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(2S)-2-[4-[[2-(dimethylamino)-2-oxoethyl]amino]phenyl]-5,5-dimethylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

The IUPAC name of 5-[[2-[(2S)-2-[4-[[2-(dimethylamino)-2-oxoethyl]amino]phenyl]-5,5-dimethylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (CID 175633526) is 5-[[2-[(2S)-2-[4-[[2-(dimethylamino)-2-oxoethyl]amino]phenyl]-5,5-dimethylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

What is the SMILES notation for 5-[[2-[(2S)-2-[4-[[2-(dimethylamino)-2-oxoethyl]amino]phenyl]-5,5-dimethylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

The canonical SMILES for 5-[[2-[(2S)-2-[4-[[2-(dimethylamino)-2-oxoethyl]amino]phenyl]-5,5-dimethylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is CN(C)C(=O)CNc1ccc([C@@H]2CCC(C)(C)CN2C(=O)C(=O)Nc2cncc(C(N)=O)c2)cc1.

What is the InChIKey of 5-[[2-[(2S)-2-[4-[[2-(dimethylamino)-2-oxoethyl]amino]phenyl]-5,5-dimethylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

The InChIKey is JOBUWBVZEZEPOR-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H32N6O4/c1-25(2)10-9-20(16-5-7-18(8-6-16)28-14-21(32)30(3)4)31(15-25)24(35)23(34)29-19-11-17(22(26)33)12-27-13-19/h5-8,11-13,20,28H,9-10,14-15H2,1-4H3,(H2,26,33)(H,29,34)/t20-/m0/s1.

What are the key properties of 5-[[2-[(2S)-2-[4-[[2-(dimethylamino)-2-oxoethyl]amino]phenyl]-5,5-dimethylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

5-[[2-[(2S)-2-[4-[[2-(dimethylamino)-2-oxoethyl]amino]phenyl]-5,5-dimethylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide has a molecular weight of 480.57 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-[(2S)-2-[4-[[2-(dimethylamino)-2-oxoethyl]amino]phenyl]-5,5-dimethylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 175633526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).