N-[4-[2-[(4,6-dimethyl-2-pyridinyl)amino]ethyl-methylamino]phenyl]-2-(6-methoxy-2-phenylindolizin-3-yl)-2-oxoacetamide

C33H33N5O3 — CID 67326755

About N-[4-[2-[(4,6-dimethyl-2-pyridinyl)amino]ethyl-methylamino]phenyl]-2-(6-methoxy-2-phenylindolizin-3-yl)-2-oxoacetamide

N-[4-[2-[(4,6-dimethyl-2-pyridinyl)amino]ethyl-methylamino]phenyl]-2-(6-methoxy-2-phenylindolizin-3-yl)-2-oxoacetamide (PubChem CID 67326755) has the molecular formula C33H33N5O3 and a molecular weight of 547.66 g/mol. Its IUPAC name is N-[4-[2-[(4,6-dimethyl-2-pyridinyl)amino]ethyl-methylamino]phenyl]-2-(6-methoxy-2-phenylindolizin-3-yl)-2-oxoacetamide.

Molecular Properties

• Compound Name: N-[4-[2-[(4,6-dimethyl-2-pyridinyl)amino]ethyl-methylamino]phenyl]-2-(6-methoxy-2-phenylindolizin-3-yl)-2-oxoacetamide
• PubChem CID: 67326755
• Molecular Formula: C33H33N5O3
• Molecular Weight: 547.66 g/mol
• Exact Mass: 547.26
• IUPAC Name: N-[4-[2-[(4,6-dimethyl-2-pyridinyl)amino]ethyl-methylamino]phenyl]-2-(6-methoxy-2-phenylindolizin-3-yl)-2-oxoacetamide
• SMILES: COc1ccc2cc(-c3ccccc3)c(C(=O)C(=O)Nc3ccc(N(C)CCNc4cc(C)cc(C)n4)cc3)n2c1
• InChI: InChI=1S/C33H33N5O3/c1-22-18-23(2)35-30(19-22)34-16-17-37(3)26-12-10-25(11-13-26)36-33(40)32(39)31-29(24-8-6-5-7-9-24)20-27-14-15-28(41-4)21-38(27)31/h5-15,18-21H,16-17H2,1-4H3,(H,34,35)(H,36,40)
• InChIKey: PWNJBKNBACPSHO-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 87.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.66
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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-[2-[(4,6-dimethyl-2-pyridinyl)amino]ethyl-methylamino]phenyl]-2-(6-methoxy-2-phenylindolizin-3-yl)-2-oxoacetamide?

The IUPAC name of N-[4-[2-[(4,6-dimethyl-2-pyridinyl)amino]ethyl-methylamino]phenyl]-2-(6-methoxy-2-phenylindolizin-3-yl)-2-oxoacetamide (CID 67326755) is N-[4-[2-[(4,6-dimethyl-2-pyridinyl)amino]ethyl-methylamino]phenyl]-2-(6-methoxy-2-phenylindolizin-3-yl)-2-oxoacetamide.

What is the SMILES notation for N-[4-[2-[(4,6-dimethyl-2-pyridinyl)amino]ethyl-methylamino]phenyl]-2-(6-methoxy-2-phenylindolizin-3-yl)-2-oxoacetamide?

The canonical SMILES for N-[4-[2-[(4,6-dimethyl-2-pyridinyl)amino]ethyl-methylamino]phenyl]-2-(6-methoxy-2-phenylindolizin-3-yl)-2-oxoacetamide is COc1ccc2cc(-c3ccccc3)c(C(=O)C(=O)Nc3ccc(N(C)CCNc4cc(C)cc(C)n4)cc3)n2c1.

What is the InChIKey of N-[4-[2-[(4,6-dimethyl-2-pyridinyl)amino]ethyl-methylamino]phenyl]-2-(6-methoxy-2-phenylindolizin-3-yl)-2-oxoacetamide?

The InChIKey is PWNJBKNBACPSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N5O3/c1-22-18-23(2)35-30(19-22)34-16-17-37(3)26-12-10-25(11-13-26)36-33(40)32(39)31-29(24-8-6-5-7-9-24)20-27-14-15-28(41-4)21-38(27)31/h5-15,18-21H,16-17H2,1-4H3,(H,34,35)(H,36,40).

What are the key properties of N-[4-[2-[(4,6-dimethyl-2-pyridinyl)amino]ethyl-methylamino]phenyl]-2-(6-methoxy-2-phenylindolizin-3-yl)-2-oxoacetamide?

N-[4-[2-[(4,6-dimethyl-2-pyridinyl)amino]ethyl-methylamino]phenyl]-2-(6-methoxy-2-phenylindolizin-3-yl)-2-oxoacetamide has a molecular weight of 547.66 g/mol, XLogP of 6.00, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[(4,6-dimethyl-2-pyridinyl)amino]ethyl-methylamino]phenyl]-2-(6-methoxy-2-phenylindolizin-3-yl)-2-oxoacetamide is sourced from PubChem (CID 67326755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).