(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-dimethyl-2-[2-(6-methyl-1H-indol-2-yl)-2-oxoethyl]pentanamide

C25H32N4O3 — CID 163996013

About (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-dimethyl-2-[2-(6-methyl-1H-indol-2-yl)-2-oxoethyl]pentanamide

(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-dimethyl-2-[2-(6-methyl-1H-indol-2-yl)-2-oxoethyl]pentanamide (PubChem CID 163996013) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-dimethyl-2-[2-(6-methyl-1H-indol-2-yl)-2-oxoethyl]pentanamide.

Molecular Properties

• Compound Name: (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-dimethyl-2-[2-(6-methyl-1H-indol-2-yl)-2-oxoethyl]pentanamide
• PubChem CID: 163996013
• Molecular Formula: C25H32N4O3
• Molecular Weight: 436.56 g/mol
• Exact Mass: 436.25
• IUPAC Name: (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-dimethyl-2-[2-(6-methyl-1H-indol-2-yl)-2-oxoethyl]pentanamide
• SMILES: Cc1ccc2cc(C(=O)C[C@@H](CC(C)(C)C)C(=O)N[C@H](C#N)C[C@@H]3CCNC3=O)[nH]c2c1
• InChI: InChI=1S/C25H32N4O3/c1-15-5-6-16-11-21(29-20(16)9-15)22(30)12-18(13-25(2,3)4)24(32)28-19(14-26)10-17-7-8-27-23(17)31/h5-6,9,11,17-19,29H,7-8,10,12-13H2,1-4H3,(H,27,31)(H,28,32)/t17-,18-,19-/m0/s1
• InChIKey: UESZJWOZBFYNGD-FHWLQOOXSA-N
• XLogP: 3.64
• TPSA: 114.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.56
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-dimethyl-2-[2-(6-methyl-1H-indol-2-yl)-2-oxoethyl]pentanamide?

The IUPAC name of (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-dimethyl-2-[2-(6-methyl-1H-indol-2-yl)-2-oxoethyl]pentanamide (CID 163996013) is (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-dimethyl-2-[2-(6-methyl-1H-indol-2-yl)-2-oxoethyl]pentanamide.

What is the SMILES notation for (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-dimethyl-2-[2-(6-methyl-1H-indol-2-yl)-2-oxoethyl]pentanamide?

The canonical SMILES for (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-dimethyl-2-[2-(6-methyl-1H-indol-2-yl)-2-oxoethyl]pentanamide is Cc1ccc2cc(C(=O)C[C@@H](CC(C)(C)C)C(=O)N[C@H](C#N)C[C@@H]3CCNC3=O)[nH]c2c1.

What is the InChIKey of (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-dimethyl-2-[2-(6-methyl-1H-indol-2-yl)-2-oxoethyl]pentanamide?

The InChIKey is UESZJWOZBFYNGD-FHWLQOOXSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-15-5-6-16-11-21(29-20(16)9-15)22(30)12-18(13-25(2,3)4)24(32)28-19(14-26)10-17-7-8-27-23(17)31/h5-6,9,11,17-19,29H,7-8,10,12-13H2,1-4H3,(H,27,31)(H,28,32)/t17-,18-,19-/m0/s1.

What are the key properties of (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-dimethyl-2-[2-(6-methyl-1H-indol-2-yl)-2-oxoethyl]pentanamide?

(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-dimethyl-2-[2-(6-methyl-1H-indol-2-yl)-2-oxoethyl]pentanamide has a molecular weight of 436.56 g/mol, XLogP of 3.64, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-4,4-dimethyl-2-[2-(6-methyl-1H-indol-2-yl)-2-oxoethyl]pentanamide is sourced from PubChem (CID 163996013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).