N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-[(3-propan-2-yloxyazetidin-1-yl)methyl]phenyl]benzamide

C29H35N3O3 — CID 135280556

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-[(3-propan-2-yloxyazetidin-1-yl)methyl]phenyl]benzamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-[(3-propan-2-yloxyazetidin-1-yl)methyl]phenyl]benzamide (PubChem CID 135280556) has the molecular formula C29H35N3O3 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-5-[4-[(3-propan-2-yloxyazetidin-1-yl)methyl]phenyl]benzamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-[(3-propan-2-yloxyazetidin-1-yl)methyl]phenyl]benzamide
• PubChem CID: 135280556
• Molecular Formula: C29H35N3O3
• Molecular Weight: 473.62 g/mol
• Exact Mass: 473.27
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-[(3-propan-2-yloxyazetidin-1-yl)methyl]phenyl]benzamide
• SMILES: Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CC(OC(C)C)C4)cc3)ccc2C)c(=O)[nH]1
• InChI: InChI=1S/C29H35N3O3/c1-18(2)35-25-16-32(17-25)15-22-7-10-23(11-8-22)24-9-6-19(3)26(13-24)28(33)30-14-27-20(4)12-21(5)31-29(27)34/h6-13,18,25H,14-17H2,1-5H3,(H,30,33)(H,31,34)
• InChIKey: GWKPMPJKIGVHPU-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 74.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.62
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-[(3-propan-2-yloxyazetidin-1-yl)methyl]phenyl]benzamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-[(3-propan-2-yloxyazetidin-1-yl)methyl]phenyl]benzamide (CID 135280556) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-[(3-propan-2-yloxyazetidin-1-yl)methyl]phenyl]benzamide.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-[(3-propan-2-yloxyazetidin-1-yl)methyl]phenyl]benzamide?

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-[(3-propan-2-yloxyazetidin-1-yl)methyl]phenyl]benzamide is Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CC(OC(C)C)C4)cc3)ccc2C)c(=O)[nH]1.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-[(3-propan-2-yloxyazetidin-1-yl)methyl]phenyl]benzamide?

The InChIKey is GWKPMPJKIGVHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O3/c1-18(2)35-25-16-32(17-25)15-22-7-10-23(11-8-22)24-9-6-19(3)26(13-24)28(33)30-14-27-20(4)12-21(5)31-29(27)34/h6-13,18,25H,14-17H2,1-5H3,(H,30,33)(H,31,34).

What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-[(3-propan-2-yloxyazetidin-1-yl)methyl]phenyl]benzamide?

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-[(3-propan-2-yloxyazetidin-1-yl)methyl]phenyl]benzamide has a molecular weight of 473.62 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 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-5-[4-[(3-propan-2-yloxyazetidin-1-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 135280556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).