4-(2-ethoxyanilino)-6-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide

C25H29N7O2 — CID 175501379

About 4-(2-ethoxyanilino)-6-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide

4-(2-ethoxyanilino)-6-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide (PubChem CID 175501379) has the molecular formula C25H29N7O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 4-(2-ethoxyanilino)-6-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-(2-ethoxyanilino)-6-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
• PubChem CID: 175501379
• Molecular Formula: C25H29N7O2
• Molecular Weight: 459.55 g/mol
• Exact Mass: 459.24
• IUPAC Name: 4-(2-ethoxyanilino)-6-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
• SMILES: CCOc1ccccc1Nc1cc(Nc2ccc(N3CC4(CN(C)C4)C3)cn2)ncc1C(N)=O
• InChI: InChI=1S/C25H29N7O2/c1-3-34-21-7-5-4-6-19(21)29-20-10-23(28-12-18(20)24(26)33)30-22-9-8-17(11-27-22)32-15-25(16-32)13-31(2)14-25/h4-12H,3,13-16H2,1-2H3,(H2,26,33)(H2,27,28,29,30)
• InChIKey: ZUUAOPKLIDUQAD-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 108.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.55
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyanilino)-6-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?

The IUPAC name of 4-(2-ethoxyanilino)-6-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide (CID 175501379) is 4-(2-ethoxyanilino)-6-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide.

What is the SMILES notation for 4-(2-ethoxyanilino)-6-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?

The canonical SMILES for 4-(2-ethoxyanilino)-6-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide is CCOc1ccccc1Nc1cc(Nc2ccc(N3CC4(CN(C)C4)C3)cn2)ncc1C(N)=O.

What is the InChIKey of 4-(2-ethoxyanilino)-6-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?

The InChIKey is ZUUAOPKLIDUQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2/c1-3-34-21-7-5-4-6-19(21)29-20-10-23(28-12-18(20)24(26)33)30-22-9-8-17(11-27-22)32-15-25(16-32)13-31(2)14-25/h4-12H,3,13-16H2,1-2H3,(H2,26,33)(H2,27,28,29,30).

What are the key properties of 4-(2-ethoxyanilino)-6-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide?

4-(2-ethoxyanilino)-6-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 3.21, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-ethoxyanilino)-6-[[5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-2-pyridinyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 175501379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).