4-cyano-N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methylpyridine-3-carboxamide

C26H26N6O3 — CID 165414283

About 4-cyano-N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methylpyridine-3-carboxamide

4-cyano-N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methylpyridine-3-carboxamide (PubChem CID 165414283) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is 4-cyano-N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-cyano-N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methylpyridine-3-carboxamide
• PubChem CID: 165414283
• Molecular Formula: C26H26N6O3
• Molecular Weight: 470.53 g/mol
• Exact Mass: 470.21
• IUPAC Name: 4-cyano-N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methylpyridine-3-carboxamide
• SMILES: CC(C)C[C@@H](C(=O)N1C[C@]2(CC1C#N)C(=O)Nc1ccccc12)N(C)C(=O)c1cnccc1C#N
• InChI: InChI=1S/C26H26N6O3/c1-16(2)10-22(31(3)23(33)19-14-29-9-8-17(19)12-27)24(34)32-15-26(11-18(32)13-28)20-6-4-5-7-21(20)30-25(26)35/h4-9,14,16,18,22H,10-11,15H2,1-3H3,(H,30,35)/t18?,22-,26-/m0/s1
• InChIKey: GDNKVGPJIJOHTG-CZOSNNJRSA-N
• XLogP: 2.45
• TPSA: 130.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.53
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methylpyridine-3-carboxamide?

The IUPAC name of 4-cyano-N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methylpyridine-3-carboxamide (CID 165414283) is 4-cyano-N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methylpyridine-3-carboxamide.

What is the SMILES notation for 4-cyano-N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methylpyridine-3-carboxamide?

The canonical SMILES for 4-cyano-N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methylpyridine-3-carboxamide is CC(C)C[C@@H](C(=O)N1C[C@]2(CC1C#N)C(=O)Nc1ccccc12)N(C)C(=O)c1cnccc1C#N.

What is the InChIKey of 4-cyano-N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methylpyridine-3-carboxamide?

The InChIKey is GDNKVGPJIJOHTG-CZOSNNJRSA-N. The full InChI is InChI=1S/C26H26N6O3/c1-16(2)10-22(31(3)23(33)19-14-29-9-8-17(19)12-27)24(34)32-15-26(11-18(32)13-28)20-6-4-5-7-21(20)30-25(26)35/h4-9,14,16,18,22H,10-11,15H2,1-3H3,(H,30,35)/t18?,22-,26-/m0/s1.

What are the key properties of 4-cyano-N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methylpyridine-3-carboxamide?

4-cyano-N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 470.53 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyano-N-[(2S)-1-[(3R)-2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl]-4-methyl-1-oxopentan-2-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 165414283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).