N-methylmethanamine;2-[[5-(1-oxo-2,9-diazaspiro[5.5]undecan-2-yl)-2-pyridinyl]amino]-4-pentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

C28H40N8O3 — CID 67376441

About N-methylmethanamine;2-[[5-(1-oxo-2,9-diazaspiro[5.5]undecan-2-yl)-2-pyridinyl]amino]-4-pentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

N-methylmethanamine;2-[[5-(1-oxo-2,9-diazaspiro[5.5]undecan-2-yl)-2-pyridinyl]amino]-4-pentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 67376441) has the molecular formula C28H40N8O3 and a molecular weight of 536.68 g/mol. Its IUPAC name is N-methylmethanamine;2-[[5-(1-oxo-2,9-diazaspiro[5.5]undecan-2-yl)-2-pyridinyl]amino]-4-pentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

• Compound Name: N-methylmethanamine;2-[[5-(1-oxo-2,9-diazaspiro[5.5]undecan-2-yl)-2-pyridinyl]amino]-4-pentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
• PubChem CID: 67376441
• Molecular Formula: C28H40N8O3
• Molecular Weight: 536.68 g/mol
• Exact Mass: 536.32
• IUPAC Name: N-methylmethanamine;2-[[5-(1-oxo-2,9-diazaspiro[5.5]undecan-2-yl)-2-pyridinyl]amino]-4-pentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
• SMILES: CCCCCc1nc(Nc2ccc(N3CCCC4(CCNCC4)C3=O)cn2)nc2[nH]c(C(=O)O)cc12.CNC
• InChI: InChI=1S/C26H33N7O3.C2H7N/c1-2-3-4-6-19-18-15-20(23(34)35)29-22(18)32-25(30-19)31-21-8-7-17(16-28-21)33-14-5-9-26(24(33)36)10-12-27-13-11-26;1-3-2/h7-8,15-16,27H,2-6,9-14H2,1H3,(H,34,35)(H2,28,29,30,31,32);3H,1-2H3
• InChIKey: MYMQFDCTJVXCJU-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 148.16 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.68
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;2-[[5-(1-oxo-2,9-diazaspiro[5.5]undecan-2-yl)-2-pyridinyl]amino]-4-pentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid?

The IUPAC name of N-methylmethanamine;2-[[5-(1-oxo-2,9-diazaspiro[5.5]undecan-2-yl)-2-pyridinyl]amino]-4-pentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid (CID 67376441) is N-methylmethanamine;2-[[5-(1-oxo-2,9-diazaspiro[5.5]undecan-2-yl)-2-pyridinyl]amino]-4-pentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid.

What is the SMILES notation for N-methylmethanamine;2-[[5-(1-oxo-2,9-diazaspiro[5.5]undecan-2-yl)-2-pyridinyl]amino]-4-pentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid?

The canonical SMILES for N-methylmethanamine;2-[[5-(1-oxo-2,9-diazaspiro[5.5]undecan-2-yl)-2-pyridinyl]amino]-4-pentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid is CCCCCc1nc(Nc2ccc(N3CCCC4(CCNCC4)C3=O)cn2)nc2[nH]c(C(=O)O)cc12.CNC.

What is the InChIKey of N-methylmethanamine;2-[[5-(1-oxo-2,9-diazaspiro[5.5]undecan-2-yl)-2-pyridinyl]amino]-4-pentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid?

The InChIKey is MYMQFDCTJVXCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O3.C2H7N/c1-2-3-4-6-19-18-15-20(23(34)35)29-22(18)32-25(30-19)31-21-8-7-17(16-28-21)33-14-5-9-26(24(33)36)10-12-27-13-11-26;1-3-2/h7-8,15-16,27H,2-6,9-14H2,1H3,(H,34,35)(H2,28,29,30,31,32);3H,1-2H3.

What are the key properties of N-methylmethanamine;2-[[5-(1-oxo-2,9-diazaspiro[5.5]undecan-2-yl)-2-pyridinyl]amino]-4-pentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid?

N-methylmethanamine;2-[[5-(1-oxo-2,9-diazaspiro[5.5]undecan-2-yl)-2-pyridinyl]amino]-4-pentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 536.68 g/mol, XLogP of 3.86, 8 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-methylmethanamine;2-[[5-(1-oxo-2,9-diazaspiro[5.5]undecan-2-yl)-2-pyridinyl]amino]-4-pentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 67376441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).