(2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

C25H28N4OS — CID 42212645

About (2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide

(2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 42212645) has the molecular formula C25H28N4OS and a molecular weight of 432.59 g/mol. Its IUPAC name is (2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
• PubChem CID: 42212645
• Molecular Formula: C25H28N4OS
• Molecular Weight: 432.59 g/mol
• Exact Mass: 432.20
• IUPAC Name: (2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide
• SMILES: Cc1cccc(CNC(=O)[C@@H]2CC23CCN(Cc2cnc(-c4ccccc4)s2)CC3)n1
• InChI: InChI=1S/C25H28N4OS/c1-18-6-5-9-20(28-18)15-26-23(30)22-14-25(22)10-12-29(13-11-25)17-21-16-27-24(31-21)19-7-3-2-4-8-19/h2-9,16,22H,10-15,17H2,1H3,(H,26,30)/t22-/m0/s1
• InChIKey: LVVBEEGTBWBDSB-QFIPXVFZSA-N
• XLogP: 4.43
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.59
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?

The IUPAC name of (2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 42212645) is (2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide.

What is the SMILES notation for (2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?

The canonical SMILES for (2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is Cc1cccc(CNC(=O)[C@@H]2CC23CCN(Cc2cnc(-c4ccccc4)s2)CC3)n1.

What is the InChIKey of (2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?

The InChIKey is LVVBEEGTBWBDSB-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H28N4OS/c1-18-6-5-9-20(28-18)15-26-23(30)22-14-25(22)10-12-29(13-11-25)17-21-16-27-24(31-21)19-7-3-2-4-8-19/h2-9,16,22H,10-15,17H2,1H3,(H,26,30)/t22-/m0/s1.

What are the key properties of (2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide?

(2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 432.59 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(6-methyl-2-pyridinyl)methyl]-6-[(2-phenyl-1,3-thiazol-5-yl)methyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 42212645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).