N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N,2-dimethyl-3-[methyl(oxan-4-yl)amino]-5-penta-2,4-dien-2-ylbenzamide

C28H37N3O3 — CID 123583358

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N,2-dimethyl-3-[methyl(oxan-4-yl)amino]-5-penta-2,4-dien-2-ylbenzamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N,2-dimethyl-3-[methyl(oxan-4-yl)amino]-5-penta-2,4-dien-2-ylbenzamide (PubChem CID 123583358) has the molecular formula C28H37N3O3 and a molecular weight of 463.62 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N,2-dimethyl-3-[methyl(oxan-4-yl)amino]-5-penta-2,4-dien-2-ylbenzamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N,2-dimethyl-3-[methyl(oxan-4-yl)amino]-5-penta-2,4-dien-2-ylbenzamide
• PubChem CID: 123583358
• Molecular Formula: C28H37N3O3
• Molecular Weight: 463.62 g/mol
• Exact Mass: 463.28
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N,2-dimethyl-3-[methyl(oxan-4-yl)amino]-5-penta-2,4-dien-2-ylbenzamide
• SMILES: C=CC=C(C)c1cc(C(=O)N(C)Cc2c(C)cc(C)[nH]c2=O)c(C)c(N(C)C2CCOCC2)c1
• InChI: InChI=1S/C28H37N3O3/c1-8-9-18(2)22-15-24(21(5)26(16-22)31(7)23-10-12-34-13-11-23)28(33)30(6)17-25-19(3)14-20(4)29-27(25)32/h8-9,14-16,23H,1,10-13,17H2,2-7H3,(H,29,32)
• InChIKey: FEEWWIHIEUSYBH-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 65.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.62
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N,2-dimethyl-3-[methyl(oxan-4-yl)amino]-5-penta-2,4-dien-2-ylbenzamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N,2-dimethyl-3-[methyl(oxan-4-yl)amino]-5-penta-2,4-dien-2-ylbenzamide (CID 123583358) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N,2-dimethyl-3-[methyl(oxan-4-yl)amino]-5-penta-2,4-dien-2-ylbenzamide.

What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N,2-dimethyl-3-[methyl(oxan-4-yl)amino]-5-penta-2,4-dien-2-ylbenzamide?

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N,2-dimethyl-3-[methyl(oxan-4-yl)amino]-5-penta-2,4-dien-2-ylbenzamide is C=CC=C(C)c1cc(C(=O)N(C)Cc2c(C)cc(C)[nH]c2=O)c(C)c(N(C)C2CCOCC2)c1.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N,2-dimethyl-3-[methyl(oxan-4-yl)amino]-5-penta-2,4-dien-2-ylbenzamide?

The InChIKey is FEEWWIHIEUSYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O3/c1-8-9-18(2)22-15-24(21(5)26(16-22)31(7)23-10-12-34-13-11-23)28(33)30(6)17-25-19(3)14-20(4)29-27(25)32/h8-9,14-16,23H,1,10-13,17H2,2-7H3,(H,29,32).

What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N,2-dimethyl-3-[methyl(oxan-4-yl)amino]-5-penta-2,4-dien-2-ylbenzamide?

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-N,2-dimethyl-3-[methyl(oxan-4-yl)amino]-5-penta-2,4-dien-2-ylbenzamide has a molecular weight of 463.62 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 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]-N,2-dimethyl-3-[methyl(oxan-4-yl)amino]-5-penta-2,4-dien-2-ylbenzamide is sourced from PubChem (CID 123583358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).