N-[5-chloro-4-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]acetamide

C25H27ClN6O2 — CID 170715422

About N-[5-chloro-4-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]acetamide

N-[5-chloro-4-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]acetamide (PubChem CID 170715422) has the molecular formula C25H27ClN6O2 and a molecular weight of 478.98 g/mol. Its IUPAC name is N-[5-chloro-4-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[5-chloro-4-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]acetamide
• PubChem CID: 170715422
• Molecular Formula: C25H27ClN6O2
• Molecular Weight: 478.98 g/mol
• Exact Mass: 478.19
• IUPAC Name: N-[5-chloro-4-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]acetamide
• SMILES: CN1CC2(CC(Oc3cc(NC(=O)Cc4ccc(C5=CCCN(C#N)C5)nc4)ncc3Cl)C2)C1
• InChI: InChI=1S/C25H27ClN6O2/c1-31-14-25(15-31)9-19(10-25)34-22-8-23(29-12-20(22)26)30-24(33)7-17-4-5-21(28-11-17)18-3-2-6-32(13-18)16-27/h3-5,8,11-12,19H,2,6-7,9-10,13-15H2,1H3,(H,29,30,33)
• InChIKey: OEZOZLUYPSJOSD-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 94.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.98
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]acetamide?

The IUPAC name of N-[5-chloro-4-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]acetamide (CID 170715422) is N-[5-chloro-4-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]acetamide.

What is the SMILES notation for N-[5-chloro-4-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]acetamide?

The canonical SMILES for N-[5-chloro-4-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]acetamide is CN1CC2(CC(Oc3cc(NC(=O)Cc4ccc(C5=CCCN(C#N)C5)nc4)ncc3Cl)C2)C1.

What is the InChIKey of N-[5-chloro-4-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]acetamide?

The InChIKey is OEZOZLUYPSJOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN6O2/c1-31-14-25(15-31)9-19(10-25)34-22-8-23(29-12-20(22)26)30-24(33)7-17-4-5-21(28-11-17)18-3-2-6-32(13-18)16-27/h3-5,8,11-12,19H,2,6-7,9-10,13-15H2,1H3,(H,29,30,33).

What are the key properties of N-[5-chloro-4-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]acetamide?

N-[5-chloro-4-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]acetamide has a molecular weight of 478.98 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-chloro-4-[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]-2-pyridinyl]-2-[6-(1-cyano-3,6-dihydro-2H-pyridin-5-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 170715422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).