N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-[(3-oxomorpholin-4-yl)methyl]-3-pyridinyl]benzamide

C33H41N5O5 — CID 139513509

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-[(3-oxomorpholin-4-yl)methyl]-3-pyridinyl]benzamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-[(3-oxomorpholin-4-yl)methyl]-3-pyridinyl]benzamide (PubChem CID 139513509) has the molecular formula C33H41N5O5 and a molecular weight of 587.72 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-[(3-oxomorpholin-4-yl)methyl]-3-pyridinyl]benzamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-[(3-oxomorpholin-4-yl)methyl]-3-pyridinyl]benzamide
• PubChem CID: 139513509
• Molecular Formula: C33H41N5O5
• Molecular Weight: 587.72 g/mol
• Exact Mass: 587.31
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-[(3-oxomorpholin-4-yl)methyl]-3-pyridinyl]benzamide
• SMILES: CCN(c1cc(-c2ccc(CN3CCOCC3=O)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
• InChI: InChI=1S/C33H41N5O5/c1-5-38(27-8-11-42-12-9-27)30-16-25(24-6-7-26(34-17-24)19-37-10-13-43-20-31(37)39)15-28(23(30)4)32(40)35-18-29-21(2)14-22(3)36-33(29)41/h6-7,14-17,27H,5,8-13,18-20H2,1-4H3,(H,35,40)(H,36,41)
• InChIKey: NIUBGOVSGRWWHR-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 116.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	587.72
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-[(3-oxomorpholin-4-yl)methyl]-3-pyridinyl]benzamide (CID 139513509) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-[(3-oxomorpholin-4-yl)methyl]-3-pyridinyl]benzamide.

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

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-[(3-oxomorpholin-4-yl)methyl]-3-pyridinyl]benzamide is CCN(c1cc(-c2ccc(CN3CCOCC3=O)nc2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-[(3-oxomorpholin-4-yl)methyl]-3-pyridinyl]benzamide?

The InChIKey is NIUBGOVSGRWWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41N5O5/c1-5-38(27-8-11-42-12-9-27)30-16-25(24-6-7-26(34-17-24)19-37-10-13-43-20-31(37)39)15-28(23(30)4)32(40)35-18-29-21(2)14-22(3)36-33(29)41/h6-7,14-17,27H,5,8-13,18-20H2,1-4H3,(H,35,40)(H,36,41).

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

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-[(3-oxomorpholin-4-yl)methyl]-3-pyridinyl]benzamide has a molecular weight of 587.72 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-[(3-oxomorpholin-4-yl)methyl]-3-pyridinyl]benzamide is sourced from PubChem (CID 139513509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).