N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-(methylamino)-5-[6-(piperidin-1-ylmethyl)-3-pyridinyl]benzamide

C28H35N5O2 — CID 146604560

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-(methylamino)-5-[6-(piperidin-1-ylmethyl)-3-pyridinyl]benzamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-(methylamino)-5-[6-(piperidin-1-ylmethyl)-3-pyridinyl]benzamide (PubChem CID 146604560) has the molecular formula C28H35N5O2 and a molecular weight of 473.62 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-(methylamino)-5-[6-(piperidin-1-ylmethyl)-3-pyridinyl]benzamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-(methylamino)-5-[6-(piperidin-1-ylmethyl)-3-pyridinyl]benzamide
• PubChem CID: 146604560
• Molecular Formula: C28H35N5O2
• Molecular Weight: 473.62 g/mol
• Exact Mass: 473.28
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-(methylamino)-5-[6-(piperidin-1-ylmethyl)-3-pyridinyl]benzamide
• SMILES: CNc1cc(-c2ccc(CN3CCCCC3)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
• InChI: InChI=1S/C28H35N5O2/c1-18-12-19(2)32-28(35)25(18)16-31-27(34)24-13-22(14-26(29-4)20(24)3)21-8-9-23(30-15-21)17-33-10-6-5-7-11-33/h8-9,12-15,29H,5-7,10-11,16-17H2,1-4H3,(H,31,34)(H,32,35)
• InChIKey: KGERQRQZZFYGCD-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 90.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.62
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-(methylamino)-5-[6-(piperidin-1-ylmethyl)-3-pyridinyl]benzamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-(methylamino)-5-[6-(piperidin-1-ylmethyl)-3-pyridinyl]benzamide (CID 146604560) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-(methylamino)-5-[6-(piperidin-1-ylmethyl)-3-pyridinyl]benzamide.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-(methylamino)-5-[6-(piperidin-1-ylmethyl)-3-pyridinyl]benzamide?

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-(methylamino)-5-[6-(piperidin-1-ylmethyl)-3-pyridinyl]benzamide is CNc1cc(-c2ccc(CN3CCCCC3)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-(methylamino)-5-[6-(piperidin-1-ylmethyl)-3-pyridinyl]benzamide?

The InChIKey is KGERQRQZZFYGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O2/c1-18-12-19(2)32-28(35)25(18)16-31-27(34)24-13-22(14-26(29-4)20(24)3)21-8-9-23(30-15-21)17-33-10-6-5-7-11-33/h8-9,12-15,29H,5-7,10-11,16-17H2,1-4H3,(H,31,34)(H,32,35).

What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-(methylamino)-5-[6-(piperidin-1-ylmethyl)-3-pyridinyl]benzamide?

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-(methylamino)-5-[6-(piperidin-1-ylmethyl)-3-pyridinyl]benzamide has a molecular weight of 473.62 g/mol, XLogP of 4.32, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-(methylamino)-5-[6-(piperidin-1-ylmethyl)-3-pyridinyl]benzamide is sourced from PubChem (CID 146604560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).