N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[[2-methoxyethyl(methyl)amino]methyl]cyclohexyl]amino]-2-methyl-5-pyrazin-2-ylbenzamide

C33H46N6O3 — CID 163596270

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[[2-methoxyethyl(methyl)amino]methyl]cyclohexyl]amino]-2-methyl-5-pyrazin-2-ylbenzamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[[2-methoxyethyl(methyl)amino]methyl]cyclohexyl]amino]-2-methyl-5-pyrazin-2-ylbenzamide (PubChem CID 163596270) has the molecular formula C33H46N6O3 and a molecular weight of 574.77 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[[2-methoxyethyl(methyl)amino]methyl]cyclohexyl]amino]-2-methyl-5-pyrazin-2-ylbenzamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[[2-methoxyethyl(methyl)amino]methyl]cyclohexyl]amino]-2-methyl-5-pyrazin-2-ylbenzamide
• PubChem CID: 163596270
• Molecular Formula: C33H46N6O3
• Molecular Weight: 574.77 g/mol
• Exact Mass: 574.36
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[[2-methoxyethyl(methyl)amino]methyl]cyclohexyl]amino]-2-methyl-5-pyrazin-2-ylbenzamide
• SMILES: CCN(c1cc(-c2cnccn2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCC(CN(C)CCOC)CC1
• InChI: InChI=1S/C33H46N6O3/c1-7-39(27-10-8-25(9-11-27)21-38(5)14-15-42-6)31-18-26(30-20-34-12-13-35-30)17-28(24(31)4)32(40)36-19-29-22(2)16-23(3)37-33(29)41/h12-13,16-18,20,25,27H,7-11,14-15,19,21H2,1-6H3,(H,36,40)(H,37,41)
• InChIKey: GTRYIQPEPSDHCC-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 103.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.77
LogP ≤ 5	4.65
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-[4-[[2-methoxyethyl(methyl)amino]methyl]cyclohexyl]amino]-2-methyl-5-pyrazin-2-ylbenzamide?

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[[2-methoxyethyl(methyl)amino]methyl]cyclohexyl]amino]-2-methyl-5-pyrazin-2-ylbenzamide (CID 163596270) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[[2-methoxyethyl(methyl)amino]methyl]cyclohexyl]amino]-2-methyl-5-pyrazin-2-ylbenzamide.

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

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[[2-methoxyethyl(methyl)amino]methyl]cyclohexyl]amino]-2-methyl-5-pyrazin-2-ylbenzamide is CCN(c1cc(-c2cnccn2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCC(CN(C)CCOC)CC1.

What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[[2-methoxyethyl(methyl)amino]methyl]cyclohexyl]amino]-2-methyl-5-pyrazin-2-ylbenzamide?

The InChIKey is GTRYIQPEPSDHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H46N6O3/c1-7-39(27-10-8-25(9-11-27)21-38(5)14-15-42-6)31-18-26(30-20-34-12-13-35-30)17-28(24(31)4)32(40)36-19-29-22(2)16-23(3)37-33(29)41/h12-13,16-18,20,25,27H,7-11,14-15,19,21H2,1-6H3,(H,36,40)(H,37,41).

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

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl-[4-[[2-methoxyethyl(methyl)amino]methyl]cyclohexyl]amino]-2-methyl-5-pyrazin-2-ylbenzamide has a molecular weight of 574.77 g/mol, XLogP of 4.65, 12 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-[4-[[2-methoxyethyl(methyl)amino]methyl]cyclohexyl]amino]-2-methyl-5-pyrazin-2-ylbenzamide is sourced from PubChem (CID 163596270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).