2-(6-methoxy-3-pyridinyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

C23H22N6O3 — CID 90683677

About 2-(6-methoxy-3-pyridinyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide

2-(6-methoxy-3-pyridinyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (PubChem CID 90683677) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-(6-methoxy-3-pyridinyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
• PubChem CID: 90683677
• Molecular Formula: C23H22N6O3
• Molecular Weight: 430.47 g/mol
• Exact Mass: 430.18
• IUPAC Name: 2-(6-methoxy-3-pyridinyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
• SMILES: COc1ccc(CC(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)cn1
• InChI: InChI=1S/C23H22N6O3/c1-14(2)29-12-19(18-11-25-13-27-23(18)29)22(31)16-7-17(10-24-9-16)28-20(30)6-15-4-5-21(32-3)26-8-15/h4-5,7-14H,6H2,1-3H3,(H,28,30)
• InChIKey: YGMDZSZGLSYFFL-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 111.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.47
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?

The IUPAC name of 2-(6-methoxy-3-pyridinyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide (CID 90683677) is 2-(6-methoxy-3-pyridinyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide.

What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?

The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is COc1ccc(CC(=O)Nc2cncc(C(=O)c3cn(C(C)C)c4ncncc34)c2)cn1.

What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?

The InChIKey is YGMDZSZGLSYFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-14(2)29-12-19(18-11-25-13-27-23(18)29)22(31)16-7-17(10-24-9-16)28-20(30)6-15-4-5-21(32-3)26-8-15/h4-5,7-14H,6H2,1-3H3,(H,28,30).

What are the key properties of 2-(6-methoxy-3-pyridinyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide?

2-(6-methoxy-3-pyridinyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide has a molecular weight of 430.47 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-methoxy-3-pyridinyl)-N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 90683677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).