2,2-dimethyl-N-[(3S,5S)-5-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide

C28H35N5O3 — CID 156903437

About 2,2-dimethyl-N-[(3S,5S)-5-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide

2,2-dimethyl-N-[(3S,5S)-5-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide (PubChem CID 156903437) has the molecular formula C28H35N5O3 and a molecular weight of 489.62 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(3S,5S)-5-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide.

Molecular Properties

• Compound Name: 2,2-dimethyl-N-[(3S,5S)-5-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide
• PubChem CID: 156903437
• Molecular Formula: C28H35N5O3
• Molecular Weight: 489.62 g/mol
• Exact Mass: 489.27
• IUPAC Name: 2,2-dimethyl-N-[(3S,5S)-5-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide
• SMILES: C[C@@H]1CNC[C@@H](N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C(C)(C)C)C1
• InChI: InChI=1S/C28H35N5O3/c1-17-10-21(15-29-14-17)33(26(36)27(2,3)4)16-23(34)31-20-8-7-18-12-28(13-19(18)11-20)22-6-5-9-30-24(22)32-25(28)35/h5-9,11,17,21,29H,10,12-16H2,1-4H3,(H,31,34)(H,30,32,35)/t17-,21-,28+/m0/s1
• InChIKey: SPELNBVABASVFQ-ODIGAKIWSA-N
• XLogP: 2.88
• TPSA: 103.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.62
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(3S,5S)-5-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide?

The IUPAC name of 2,2-dimethyl-N-[(3S,5S)-5-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide (CID 156903437) is 2,2-dimethyl-N-[(3S,5S)-5-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide.

What is the SMILES notation for 2,2-dimethyl-N-[(3S,5S)-5-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide?

The canonical SMILES for 2,2-dimethyl-N-[(3S,5S)-5-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide is C[C@@H]1CNC[C@@H](N(CC(=O)Nc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C(C)(C)C)C1.

What is the InChIKey of 2,2-dimethyl-N-[(3S,5S)-5-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide?

The InChIKey is SPELNBVABASVFQ-ODIGAKIWSA-N. The full InChI is InChI=1S/C28H35N5O3/c1-17-10-21(15-29-14-17)33(26(36)27(2,3)4)16-23(34)31-20-8-7-18-12-28(13-19(18)11-20)22-6-5-9-30-24(22)32-25(28)35/h5-9,11,17,21,29H,10,12-16H2,1-4H3,(H,31,34)(H,30,32,35)/t17-,21-,28+/m0/s1.

What are the key properties of 2,2-dimethyl-N-[(3S,5S)-5-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide?

2,2-dimethyl-N-[(3S,5S)-5-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide has a molecular weight of 489.62 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-dimethyl-N-[(3S,5S)-5-methylpiperidin-3-yl]-N-[2-oxo-2-[[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]amino]ethyl]propanamide is sourced from PubChem (CID 156903437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).