6-ethoxy-3-[(2R)-2-ethyl-4-(1-ethylcyclobutanecarbonyl)piperazin-1-yl]-N-[2-(methylamino)ethyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide

C29H44N6O3 — CID 175110101

About 6-ethoxy-3-[(2R)-2-ethyl-4-(1-ethylcyclobutanecarbonyl)piperazin-1-yl]-N-[2-(methylamino)ethyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide

6-ethoxy-3-[(2R)-2-ethyl-4-(1-ethylcyclobutanecarbonyl)piperazin-1-yl]-N-[2-(methylamino)ethyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide (PubChem CID 175110101) has the molecular formula C29H44N6O3 and a molecular weight of 524.71 g/mol. Its IUPAC name is 6-ethoxy-3-[(2R)-2-ethyl-4-(1-ethylcyclobutanecarbonyl)piperazin-1-yl]-N-[2-(methylamino)ethyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-ethoxy-3-[(2R)-2-ethyl-4-(1-ethylcyclobutanecarbonyl)piperazin-1-yl]-N-[2-(methylamino)ethyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide
• PubChem CID: 175110101
• Molecular Formula: C29H44N6O3
• Molecular Weight: 524.71 g/mol
• Exact Mass: 524.35
• IUPAC Name: 6-ethoxy-3-[(2R)-2-ethyl-4-(1-ethylcyclobutanecarbonyl)piperazin-1-yl]-N-[2-(methylamino)ethyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide
• SMILES: CCOC1(c2cccnc2)C=CC(N2CCN(C(=O)C3(CC)CCC3)C[C@H]2CC)=C(C(=O)NCCNC)N1
• InChI: InChI=1S/C29H44N6O3/c1-5-23-21-34(27(37)28(6-2)12-9-13-28)18-19-35(23)24-11-14-29(38-7-3,22-10-8-15-31-20-22)33-25(24)26(36)32-17-16-30-4/h8,10-11,14-15,20,23,30,33H,5-7,9,12-13,16-19,21H2,1-4H3,(H,32,36)/t23-,29?/m1/s1
• InChIKey: ALSZMOPNASKXMF-WIZGVZBGSA-N
• XLogP: 2.48
• TPSA: 98.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.71
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-[(2R)-2-ethyl-4-(1-ethylcyclobutanecarbonyl)piperazin-1-yl]-N-[2-(methylamino)ethyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide?

The IUPAC name of 6-ethoxy-3-[(2R)-2-ethyl-4-(1-ethylcyclobutanecarbonyl)piperazin-1-yl]-N-[2-(methylamino)ethyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide (CID 175110101) is 6-ethoxy-3-[(2R)-2-ethyl-4-(1-ethylcyclobutanecarbonyl)piperazin-1-yl]-N-[2-(methylamino)ethyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide.

What is the SMILES notation for 6-ethoxy-3-[(2R)-2-ethyl-4-(1-ethylcyclobutanecarbonyl)piperazin-1-yl]-N-[2-(methylamino)ethyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide?

The canonical SMILES for 6-ethoxy-3-[(2R)-2-ethyl-4-(1-ethylcyclobutanecarbonyl)piperazin-1-yl]-N-[2-(methylamino)ethyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide is CCOC1(c2cccnc2)C=CC(N2CCN(C(=O)C3(CC)CCC3)C[C@H]2CC)=C(C(=O)NCCNC)N1.

What is the InChIKey of 6-ethoxy-3-[(2R)-2-ethyl-4-(1-ethylcyclobutanecarbonyl)piperazin-1-yl]-N-[2-(methylamino)ethyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide?

The InChIKey is ALSZMOPNASKXMF-WIZGVZBGSA-N. The full InChI is InChI=1S/C29H44N6O3/c1-5-23-21-34(27(37)28(6-2)12-9-13-28)18-19-35(23)24-11-14-29(38-7-3,22-10-8-15-31-20-22)33-25(24)26(36)32-17-16-30-4/h8,10-11,14-15,20,23,30,33H,5-7,9,12-13,16-19,21H2,1-4H3,(H,32,36)/t23-,29?/m1/s1.

What are the key properties of 6-ethoxy-3-[(2R)-2-ethyl-4-(1-ethylcyclobutanecarbonyl)piperazin-1-yl]-N-[2-(methylamino)ethyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide?

6-ethoxy-3-[(2R)-2-ethyl-4-(1-ethylcyclobutanecarbonyl)piperazin-1-yl]-N-[2-(methylamino)ethyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide has a molecular weight of 524.71 g/mol, XLogP of 2.48, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethoxy-3-[(2R)-2-ethyl-4-(1-ethylcyclobutanecarbonyl)piperazin-1-yl]-N-[2-(methylamino)ethyl]-6-pyridin-3-yl-1H-pyridine-2-carboxamide is sourced from PubChem (CID 175110101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).