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

C36H46N6O4 — CID 170695181

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

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(3-methyl-2-oxo-1-piperidin-4-ylbenzimidazol-5-yl)benzamide (PubChem CID 170695181) has the molecular formula C36H46N6O4 and a molecular weight of 626.80 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-(3-methyl-2-oxo-1-piperidin-4-ylbenzimidazol-5-yl)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-(3-methyl-2-oxo-1-piperidin-4-ylbenzimidazol-5-yl)benzamide
• PubChem CID: 170695181
• Molecular Formula: C36H46N6O4
• Molecular Weight: 626.80 g/mol
• Exact Mass: 626.36
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(3-methyl-2-oxo-1-piperidin-4-ylbenzimidazol-5-yl)benzamide
• SMILES: CCN(c1cc(-c2ccc3c(c2)n(C)c(=O)n3C2CCNCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
• InChI: InChI=1S/C36H46N6O4/c1-6-41(27-11-15-46-16-12-27)32-20-26(18-29(24(32)4)34(43)38-21-30-22(2)17-23(3)39-35(30)44)25-7-8-31-33(19-25)40(5)36(45)42(31)28-9-13-37-14-10-28/h7-8,17-20,27-28,37H,6,9-16,21H2,1-5H3,(H,38,43)(H,39,44)
• InChIKey: GOXWXALHVSQDPN-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 113.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	626.80
LogP ≤ 5	4.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

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-(3-methyl-2-oxo-1-piperidin-4-ylbenzimidazol-5-yl)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-(3-methyl-2-oxo-1-piperidin-4-ylbenzimidazol-5-yl)benzamide (CID 170695181) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(3-methyl-2-oxo-1-piperidin-4-ylbenzimidazol-5-yl)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-(3-methyl-2-oxo-1-piperidin-4-ylbenzimidazol-5-yl)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-(3-methyl-2-oxo-1-piperidin-4-ylbenzimidazol-5-yl)benzamide is CCN(c1cc(-c2ccc3c(c2)n(C)c(=O)n3C2CCNCC2)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-(3-methyl-2-oxo-1-piperidin-4-ylbenzimidazol-5-yl)benzamide?

The InChIKey is GOXWXALHVSQDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H46N6O4/c1-6-41(27-11-15-46-16-12-27)32-20-26(18-29(24(32)4)34(43)38-21-30-22(2)17-23(3)39-35(30)44)25-7-8-31-33(19-25)40(5)36(45)42(31)28-9-13-37-14-10-28/h7-8,17-20,27-28,37H,6,9-16,21H2,1-5H3,(H,38,43)(H,39,44).

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-(3-methyl-2-oxo-1-piperidin-4-ylbenzimidazol-5-yl)benzamide?

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(3-methyl-2-oxo-1-piperidin-4-ylbenzimidazol-5-yl)benzamide has a molecular weight of 626.80 g/mol, XLogP of 4.48, 8 rotatable bonds, 3 hydrogen bond donors, and 8 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-(3-methyl-2-oxo-1-piperidin-4-ylbenzimidazol-5-yl)benzamide is sourced from PubChem (CID 170695181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).