N-[5-[6-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide

C25H28N6O3 — CID 90261360

About N-[5-[6-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide

N-[5-[6-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide (PubChem CID 90261360) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is N-[5-[6-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide.

Molecular Properties

• Compound Name: N-[5-[6-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
• PubChem CID: 90261360
• Molecular Formula: C25H28N6O3
• Molecular Weight: 460.54 g/mol
• Exact Mass: 460.22
• IUPAC Name: N-[5-[6-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
• SMILES: CNC(=O)CNc1cccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1
• InChI: InChI=1S/C25H28N6O3/c1-26-23(32)16-27-22-7-5-6-20(29-22)18-14-21(25(34)28-15-18)30-24(33)17-8-10-19(11-9-17)31-12-3-2-4-13-31/h5-11,14-15H,2-4,12-13,16H2,1H3,(H,26,32)(H,27,29)(H,28,34)(H,30,33)
• InChIKey: WOSMNZLCZCBKGW-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 119.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.54
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?

The IUPAC name of N-[5-[6-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide (CID 90261360) is N-[5-[6-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide.

What is the SMILES notation for N-[5-[6-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?

The canonical SMILES for N-[5-[6-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide is CNC(=O)CNc1cccc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)n1.

What is the InChIKey of N-[5-[6-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?

The InChIKey is WOSMNZLCZCBKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O3/c1-26-23(32)16-27-22-7-5-6-20(29-22)18-14-21(25(34)28-15-18)30-24(33)17-8-10-19(11-9-17)31-12-3-2-4-13-31/h5-11,14-15H,2-4,12-13,16H2,1H3,(H,26,32)(H,27,29)(H,28,34)(H,30,33).

What are the key properties of N-[5-[6-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?

N-[5-[6-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide has a molecular weight of 460.54 g/mol, XLogP of 2.84, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[6-[[2-(methylamino)-2-oxoethyl]amino]-2-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 90261360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).