1-[5-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide

C22H26N6O3 — CID 55970597

About 1-[5-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide

1-[5-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55970597) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is 1-[5-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[5-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
• PubChem CID: 55970597
• Molecular Formula: C22H26N6O3
• Molecular Weight: 422.49 g/mol
• Exact Mass: 422.21
• IUPAC Name: 1-[5-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
• SMILES: NC(=O)C1CCCN(c2ccc(NC(=O)C3CC(=O)N(Cc4ccccn4)C3)cn2)C1
• InChI: InChI=1S/C22H26N6O3/c23-21(30)15-4-3-9-27(12-15)19-7-6-17(11-25-19)26-22(31)16-10-20(29)28(13-16)14-18-5-1-2-8-24-18/h1-2,5-8,11,15-16H,3-4,9-10,12-14H2,(H2,23,30)(H,26,31)
• InChIKey: PAGPIPCQXZTCLS-UHFFFAOYSA-N
• XLogP: 1.17
• TPSA: 121.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.49
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide?

The IUPAC name of 1-[5-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide (CID 55970597) is 1-[5-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-[5-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide?

The canonical SMILES for 1-[5-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2ccc(NC(=O)C3CC(=O)N(Cc4ccccn4)C3)cn2)C1.

What is the InChIKey of 1-[5-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide?

The InChIKey is PAGPIPCQXZTCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c23-21(30)15-4-3-9-27(12-15)19-7-6-17(11-25-19)26-22(31)16-10-20(29)28(13-16)14-18-5-1-2-8-24-18/h1-2,5-8,11,15-16H,3-4,9-10,12-14H2,(H2,23,30)(H,26,31).

What are the key properties of 1-[5-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide?

1-[5-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55970597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).