(3R)-N-(6-methyl-2-pyridinyl)-1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-3-carboxamide

C19H28N4O2 — CID 95141951

About (3R)-N-(6-methyl-2-pyridinyl)-1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-3-carboxamide

(3R)-N-(6-methyl-2-pyridinyl)-1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-3-carboxamide (PubChem CID 95141951) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (3R)-N-(6-methyl-2-pyridinyl)-1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-(6-methyl-2-pyridinyl)-1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-3-carboxamide
• PubChem CID: 95141951
• Molecular Formula: C19H28N4O2
• Molecular Weight: 344.46 g/mol
• Exact Mass: 344.22
• IUPAC Name: (3R)-N-(6-methyl-2-pyridinyl)-1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-3-carboxamide
• SMILES: Cc1cccc(NC(=O)[C@@H]2CCCN([C@@H](C)C(=O)N3CCCC3)C2)n1
• InChI: InChI=1S/C19H28N4O2/c1-14-7-5-9-17(20-14)21-18(24)16-8-6-12-23(13-16)15(2)19(25)22-10-3-4-11-22/h5,7,9,15-16H,3-4,6,8,10-13H2,1-2H3,(H,20,21,24)/t15-,16+/m0/s1
• InChIKey: VFWAKDQNORTTOZ-JKSUJKDBSA-N
• XLogP: 2.05
• TPSA: 65.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.46
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(6-methyl-2-pyridinyl)-1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-3-carboxamide?

The IUPAC name of (3R)-N-(6-methyl-2-pyridinyl)-1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-3-carboxamide (CID 95141951) is (3R)-N-(6-methyl-2-pyridinyl)-1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-N-(6-methyl-2-pyridinyl)-1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-N-(6-methyl-2-pyridinyl)-1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-3-carboxamide is Cc1cccc(NC(=O)[C@@H]2CCCN([C@@H](C)C(=O)N3CCCC3)C2)n1.

What is the InChIKey of (3R)-N-(6-methyl-2-pyridinyl)-1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-3-carboxamide?

The InChIKey is VFWAKDQNORTTOZ-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14-7-5-9-17(20-14)21-18(24)16-8-6-12-23(13-16)15(2)19(25)22-10-3-4-11-22/h5,7,9,15-16H,3-4,6,8,10-13H2,1-2H3,(H,20,21,24)/t15-,16+/m0/s1.

What are the key properties of (3R)-N-(6-methyl-2-pyridinyl)-1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-3-carboxamide?

(3R)-N-(6-methyl-2-pyridinyl)-1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-(6-methyl-2-pyridinyl)-1-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95141951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).