6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide

C30H42N6O3 — CID 160588499

About 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide

6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide (PubChem CID 160588499) has the molecular formula C30H42N6O3 and a molecular weight of 534.71 g/mol. Its IUPAC name is 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
• PubChem CID: 160588499
• Molecular Formula: C30H42N6O3
• Molecular Weight: 534.71 g/mol
• Exact Mass: 534.33
• IUPAC Name: 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
• SMILES: CCOc1ncccc1-c1ccc(N2CCN(C(=O)C3(C)CCC3)C[C@H]2CC)c(C(=O)NC2CCN(C)C2)n1
• InChI: InChI=1S/C30H42N6O3/c1-5-22-20-35(29(38)30(3)13-8-14-30)17-18-36(22)25-11-10-24(23-9-7-15-31-28(23)39-6-2)33-26(25)27(37)32-21-12-16-34(4)19-21/h7,9-11,15,21-22H,5-6,8,12-14,16-20H2,1-4H3,(H,32,37)/t21?,22-/m1/s1
• InChIKey: JKGTYCITSLNQTL-FOIFJWKZSA-N
• XLogP: 3.59
• TPSA: 90.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.71
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide?

The IUPAC name of 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide (CID 160588499) is 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide.

What is the SMILES notation for 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide?

The canonical SMILES for 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide is CCOc1ncccc1-c1ccc(N2CCN(C(=O)C3(C)CCC3)C[C@H]2CC)c(C(=O)NC2CCN(C)C2)n1.

What is the InChIKey of 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide?

The InChIKey is JKGTYCITSLNQTL-FOIFJWKZSA-N. The full InChI is InChI=1S/C30H42N6O3/c1-5-22-20-35(29(38)30(3)13-8-14-30)17-18-36(22)25-11-10-24(23-9-7-15-31-28(23)39-6-2)33-26(25)27(37)32-21-12-16-34(4)19-21/h7,9-11,15,21-22H,5-6,8,12-14,16-20H2,1-4H3,(H,32,37)/t21?,22-/m1/s1.

What are the key properties of 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide?

6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide has a molecular weight of 534.71 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-ethoxy-3-pyridinyl)-3-[(2R)-2-ethyl-4-(1-methylcyclobutanecarbonyl)piperazin-1-yl]-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 160588499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).