N-[4-[4-(4,6-dimethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide

C34H33N5O2 — CID 67326733

About N-[4-[4-(4,6-dimethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide

N-[4-[4-(4,6-dimethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide (PubChem CID 67326733) has the molecular formula C34H33N5O2 and a molecular weight of 543.67 g/mol. Its IUPAC name is N-[4-[4-(4,6-dimethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide.

Molecular Properties

• Compound Name: N-[4-[4-(4,6-dimethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide
• PubChem CID: 67326733
• Molecular Formula: C34H33N5O2
• Molecular Weight: 543.67 g/mol
• Exact Mass: 543.26
• IUPAC Name: N-[4-[4-(4,6-dimethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide
• SMILES: Cc1cc(C)nc(N2CCN(c3ccc(NC(=O)C(=O)c4c(-c5ccccc5)cc5cc(C)ccn45)cc3)CC2)c1
• InChI: InChI=1S/C34H33N5O2/c1-23-13-14-39-29(20-23)22-30(26-7-5-4-6-8-26)32(39)33(40)34(41)36-27-9-11-28(12-10-27)37-15-17-38(18-16-37)31-21-24(2)19-25(3)35-31/h4-14,19-22H,15-18H2,1-3H3,(H,36,41)
• InChIKey: ZMCVLKUZACCIGZ-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 69.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.67
LogP ≤ 5	6.07
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-(4,6-dimethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide?

The IUPAC name of N-[4-[4-(4,6-dimethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide (CID 67326733) is N-[4-[4-(4,6-dimethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide.

What is the SMILES notation for N-[4-[4-(4,6-dimethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide?

The canonical SMILES for N-[4-[4-(4,6-dimethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide is Cc1cc(C)nc(N2CCN(c3ccc(NC(=O)C(=O)c4c(-c5ccccc5)cc5cc(C)ccn45)cc3)CC2)c1.

What is the InChIKey of N-[4-[4-(4,6-dimethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide?

The InChIKey is ZMCVLKUZACCIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N5O2/c1-23-13-14-39-29(20-23)22-30(26-7-5-4-6-8-26)32(39)33(40)34(41)36-27-9-11-28(12-10-27)37-15-17-38(18-16-37)31-21-24(2)19-25(3)35-31/h4-14,19-22H,15-18H2,1-3H3,(H,36,41).

What are the key properties of N-[4-[4-(4,6-dimethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide?

N-[4-[4-(4,6-dimethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide has a molecular weight of 543.67 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(4,6-dimethyl-2-pyridinyl)piperazin-1-yl]phenyl]-2-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide is sourced from PubChem (CID 67326733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).