N-[2-[[5-[[benzyl(methyl)amino]methyl]-6-methyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide

C25H29N7O — CID 10297223

About N-[2-[[5-[[benzyl(methyl)amino]methyl]-6-methyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide

N-[2-[[5-[[benzyl(methyl)amino]methyl]-6-methyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide (PubChem CID 10297223) has the molecular formula C25H29N7O and a molecular weight of 443.56 g/mol. Its IUPAC name is N-[2-[[5-[[benzyl(methyl)amino]methyl]-6-methyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[[5-[[benzyl(methyl)amino]methyl]-6-methyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
• PubChem CID: 10297223
• Molecular Formula: C25H29N7O
• Molecular Weight: 443.56 g/mol
• Exact Mass: 443.24
• IUPAC Name: N-[2-[[5-[[benzyl(methyl)amino]methyl]-6-methyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide
• SMILES: CC(=O)NCCNc1nc(-c2ccncc2)nc2[nH]c(C)c(CN(C)Cc3ccccc3)c12
• InChI: InChI=1S/C25H29N7O/c1-17-21(16-32(3)15-19-7-5-4-6-8-19)22-24(28-14-13-27-18(2)33)30-23(31-25(22)29-17)20-9-11-26-12-10-20/h4-12H,13-16H2,1-3H3,(H,27,33)(H2,28,29,30,31)
• InChIKey: IZBZEVYUZHMYGM-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 98.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.56
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-[[benzyl(methyl)amino]methyl]-6-methyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide?

The IUPAC name of N-[2-[[5-[[benzyl(methyl)amino]methyl]-6-methyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide (CID 10297223) is N-[2-[[5-[[benzyl(methyl)amino]methyl]-6-methyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide.

What is the SMILES notation for N-[2-[[5-[[benzyl(methyl)amino]methyl]-6-methyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide?

The canonical SMILES for N-[2-[[5-[[benzyl(methyl)amino]methyl]-6-methyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide is CC(=O)NCCNc1nc(-c2ccncc2)nc2[nH]c(C)c(CN(C)Cc3ccccc3)c12.

What is the InChIKey of N-[2-[[5-[[benzyl(methyl)amino]methyl]-6-methyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide?

The InChIKey is IZBZEVYUZHMYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O/c1-17-21(16-32(3)15-19-7-5-4-6-8-19)22-24(28-14-13-27-18(2)33)30-23(31-25(22)29-17)20-9-11-26-12-10-20/h4-12H,13-16H2,1-3H3,(H,27,33)(H2,28,29,30,31).

What are the key properties of N-[2-[[5-[[benzyl(methyl)amino]methyl]-6-methyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide?

N-[2-[[5-[[benzyl(methyl)amino]methyl]-6-methyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide has a molecular weight of 443.56 g/mol, XLogP of 3.51, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[5-[[benzyl(methyl)amino]methyl]-6-methyl-2-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 10297223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).