3-[1-[4-(dimethylamino)cyclohexyl]ethylamino]-4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-pyrazin-2-ylbenzamide

C30H40N6O2 — CID 141496138

About 3-[1-[4-(dimethylamino)cyclohexyl]ethylamino]-4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-pyrazin-2-ylbenzamide

3-[1-[4-(dimethylamino)cyclohexyl]ethylamino]-4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-pyrazin-2-ylbenzamide (PubChem CID 141496138) has the molecular formula C30H40N6O2 and a molecular weight of 516.69 g/mol. Its IUPAC name is 3-[1-[4-(dimethylamino)cyclohexyl]ethylamino]-4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-pyrazin-2-ylbenzamide.

Molecular Properties

• Compound Name: 3-[1-[4-(dimethylamino)cyclohexyl]ethylamino]-4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-pyrazin-2-ylbenzamide
• PubChem CID: 141496138
• Molecular Formula: C30H40N6O2
• Molecular Weight: 516.69 g/mol
• Exact Mass: 516.32
• IUPAC Name: 3-[1-[4-(dimethylamino)cyclohexyl]ethylamino]-4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-pyrazin-2-ylbenzamide
• SMILES: Cc1cc(C)c(Cc2c(-c3cnccn3)cc(C(N)=O)c(C)c2NC(C)C2CCC(N(C)C)CC2)c(=O)[nH]1
• InChI: InChI=1S/C30H40N6O2/c1-17-13-18(2)34-30(38)23(17)14-26-25(27-16-32-11-12-33-27)15-24(29(31)37)19(3)28(26)35-20(4)21-7-9-22(10-8-21)36(5)6/h11-13,15-16,20-22,35H,7-10,14H2,1-6H3,(H2,31,37)(H,34,38)
• InChIKey: ROPGNSQSBPDGLQ-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 117.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.69
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(dimethylamino)cyclohexyl]ethylamino]-4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-pyrazin-2-ylbenzamide?

The IUPAC name of 3-[1-[4-(dimethylamino)cyclohexyl]ethylamino]-4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-pyrazin-2-ylbenzamide (CID 141496138) is 3-[1-[4-(dimethylamino)cyclohexyl]ethylamino]-4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-pyrazin-2-ylbenzamide.

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

The canonical SMILES for 3-[1-[4-(dimethylamino)cyclohexyl]ethylamino]-4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-pyrazin-2-ylbenzamide is Cc1cc(C)c(Cc2c(-c3cnccn3)cc(C(N)=O)c(C)c2NC(C)C2CCC(N(C)C)CC2)c(=O)[nH]1.

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

The InChIKey is ROPGNSQSBPDGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N6O2/c1-17-13-18(2)34-30(38)23(17)14-26-25(27-16-32-11-12-33-27)15-24(29(31)37)19(3)28(26)35-20(4)21-7-9-22(10-8-21)36(5)6/h11-13,15-16,20-22,35H,7-10,14H2,1-6H3,(H2,31,37)(H,34,38).

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

3-[1-[4-(dimethylamino)cyclohexyl]ethylamino]-4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-pyrazin-2-ylbenzamide has a molecular weight of 516.69 g/mol, XLogP of 4.37, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[4-(dimethylamino)cyclohexyl]ethylamino]-4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-pyrazin-2-ylbenzamide is sourced from PubChem (CID 141496138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).