N-[5-[2-[2-(dimethylamino)ethyl-methylamino]-1,2-dihydropyrimidin-6-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide

C26H35N7O2 — CID 90261369

About N-[5-[2-[2-(dimethylamino)ethyl-methylamino]-1,2-dihydropyrimidin-6-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide

N-[5-[2-[2-(dimethylamino)ethyl-methylamino]-1,2-dihydropyrimidin-6-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide (PubChem CID 90261369) has the molecular formula C26H35N7O2 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-[5-[2-[2-(dimethylamino)ethyl-methylamino]-1,2-dihydropyrimidin-6-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide.

Molecular Properties

• Compound Name: N-[5-[2-[2-(dimethylamino)ethyl-methylamino]-1,2-dihydropyrimidin-6-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
• PubChem CID: 90261369
• Molecular Formula: C26H35N7O2
• Molecular Weight: 477.61 g/mol
• Exact Mass: 477.29
• IUPAC Name: N-[5-[2-[2-(dimethylamino)ethyl-methylamino]-1,2-dihydropyrimidin-6-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
• SMILES: CN(C)CCN(C)C1N=CC=C(c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)N1
• InChI: InChI=1S/C26H35N7O2/c1-31(2)15-16-32(3)26-27-12-11-22(30-26)20-17-23(25(35)28-18-20)29-24(34)19-7-9-21(10-8-19)33-13-5-4-6-14-33/h7-12,17-18,26,30H,4-6,13-16H2,1-3H3,(H,28,35)(H,29,34)
• InChIKey: APYFKQYVZQUGJZ-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 96.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.61
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[2-(dimethylamino)ethyl-methylamino]-1,2-dihydropyrimidin-6-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?

The IUPAC name of N-[5-[2-[2-(dimethylamino)ethyl-methylamino]-1,2-dihydropyrimidin-6-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide (CID 90261369) is N-[5-[2-[2-(dimethylamino)ethyl-methylamino]-1,2-dihydropyrimidin-6-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide.

What is the SMILES notation for N-[5-[2-[2-(dimethylamino)ethyl-methylamino]-1,2-dihydropyrimidin-6-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?

The canonical SMILES for N-[5-[2-[2-(dimethylamino)ethyl-methylamino]-1,2-dihydropyrimidin-6-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide is CN(C)CCN(C)C1N=CC=C(c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)N1.

What is the InChIKey of N-[5-[2-[2-(dimethylamino)ethyl-methylamino]-1,2-dihydropyrimidin-6-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?

The InChIKey is APYFKQYVZQUGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O2/c1-31(2)15-16-32(3)26-27-12-11-22(30-26)20-17-23(25(35)28-18-20)29-24(34)19-7-9-21(10-8-19)33-13-5-4-6-14-33/h7-12,17-18,26,30H,4-6,13-16H2,1-3H3,(H,28,35)(H,29,34).

What are the key properties of N-[5-[2-[2-(dimethylamino)ethyl-methylamino]-1,2-dihydropyrimidin-6-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?

N-[5-[2-[2-(dimethylamino)ethyl-methylamino]-1,2-dihydropyrimidin-6-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide has a molecular weight of 477.61 g/mol, XLogP of 2.41, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-[2-(dimethylamino)ethyl-methylamino]-1,2-dihydropyrimidin-6-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 90261369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).