(2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-phenylacetamide

C28H29N5O2 — CID 164515086

About (2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-phenylacetamide

(2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-phenylacetamide (PubChem CID 164515086) has the molecular formula C28H29N5O2 and a molecular weight of 467.57 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: (2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-phenylacetamide
• PubChem CID: 164515086
• Molecular Formula: C28H29N5O2
• Molecular Weight: 467.57 g/mol
• Exact Mass: 467.23
• IUPAC Name: (2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-phenylacetamide
• SMILES: C[C@@H](CN[C@@H](C(=O)Nc1ccc(C2CC(=O)N(C)C2)cn1)c1ccccc1)c1ccc(C#N)cc1
• InChI: InChI=1S/C28H29N5O2/c1-19(21-10-8-20(15-29)9-11-21)16-31-27(22-6-4-3-5-7-22)28(35)32-25-13-12-23(17-30-25)24-14-26(34)33(2)18-24/h3-13,17,19,24,27,31H,14,16,18H2,1-2H3,(H,30,32,35)/t19-,24?,27+/m0/s1
• InChIKey: MKXSRLMGJRPXLK-WWIFXDDTSA-N
• XLogP: 3.97
• TPSA: 98.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.57
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-phenylacetamide?

The IUPAC name of (2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-phenylacetamide (CID 164515086) is (2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-phenylacetamide.

What is the SMILES notation for (2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-phenylacetamide?

The canonical SMILES for (2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-phenylacetamide is C[C@@H](CN[C@@H](C(=O)Nc1ccc(C2CC(=O)N(C)C2)cn1)c1ccccc1)c1ccc(C#N)cc1.

What is the InChIKey of (2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-phenylacetamide?

The InChIKey is MKXSRLMGJRPXLK-WWIFXDDTSA-N. The full InChI is InChI=1S/C28H29N5O2/c1-19(21-10-8-20(15-29)9-11-21)16-31-27(22-6-4-3-5-7-22)28(35)32-25-13-12-23(17-30-25)24-14-26(34)33(2)18-24/h3-13,17,19,24,27,31H,14,16,18H2,1-2H3,(H,30,32,35)/t19-,24?,27+/m0/s1.

What are the key properties of (2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-phenylacetamide?

(2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-phenylacetamide has a molecular weight of 467.57 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[(2R)-2-(4-cyanophenyl)propyl]amino]-N-[5-(1-methyl-5-oxopyrrolidin-3-yl)-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 164515086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).