N-[4-[4-(4-ethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-2-(2-propan-2-ylindolizin-3-yl)acetamide

C30H33N5O2 — CID 67106949

About N-[4-[4-(4-ethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-2-(2-propan-2-ylindolizin-3-yl)acetamide

N-[4-[4-(4-ethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-2-(2-propan-2-ylindolizin-3-yl)acetamide (PubChem CID 67106949) has the molecular formula C30H33N5O2 and a molecular weight of 495.63 g/mol. Its IUPAC name is N-[4-[4-(4-ethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-2-(2-propan-2-ylindolizin-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[4-[4-(4-ethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-2-(2-propan-2-ylindolizin-3-yl)acetamide
• PubChem CID: 67106949
• Molecular Formula: C30H33N5O2
• Molecular Weight: 495.63 g/mol
• Exact Mass: 495.26
• IUPAC Name: N-[4-[4-(4-ethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-2-(2-propan-2-ylindolizin-3-yl)acetamide
• SMILES: CCc1ccnc(N2CCN(c3ccc(NC(=O)C(=O)c4c(C(C)C)cc5ccccn45)cc3)CC2)c1
• InChI: InChI=1S/C30H33N5O2/c1-4-22-12-13-31-27(19-22)34-17-15-33(16-18-34)24-10-8-23(9-11-24)32-30(37)29(36)28-26(21(2)3)20-25-7-5-6-14-35(25)28/h5-14,19-21H,4,15-18H2,1-3H3,(H,32,37)
• InChIKey: ICMVSQPVRRUAKY-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 69.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.63
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-ethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-2-(2-propan-2-ylindolizin-3-yl)acetamide?

The IUPAC name of N-[4-[4-(4-ethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-2-(2-propan-2-ylindolizin-3-yl)acetamide (CID 67106949) is N-[4-[4-(4-ethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-2-(2-propan-2-ylindolizin-3-yl)acetamide.

What is the SMILES notation for N-[4-[4-(4-ethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-2-(2-propan-2-ylindolizin-3-yl)acetamide?

The canonical SMILES for N-[4-[4-(4-ethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-2-(2-propan-2-ylindolizin-3-yl)acetamide is CCc1ccnc(N2CCN(c3ccc(NC(=O)C(=O)c4c(C(C)C)cc5ccccn45)cc3)CC2)c1.

What is the InChIKey of N-[4-[4-(4-ethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-2-(2-propan-2-ylindolizin-3-yl)acetamide?

The InChIKey is ICMVSQPVRRUAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O2/c1-4-22-12-13-31-27(19-22)34-17-15-33(16-18-34)24-10-8-23(9-11-24)32-30(37)29(36)28-26(21(2)3)20-25-7-5-6-14-35(25)28/h5-14,19-21H,4,15-18H2,1-3H3,(H,32,37).

What are the key properties of N-[4-[4-(4-ethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-2-(2-propan-2-ylindolizin-3-yl)acetamide?

N-[4-[4-(4-ethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-2-(2-propan-2-ylindolizin-3-yl)acetamide has a molecular weight of 495.63 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(4-ethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-2-(2-propan-2-ylindolizin-3-yl)acetamide is sourced from PubChem (CID 67106949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).