1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide

C21H25ClN4O2 — CID 67508735

About 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide

1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide (PubChem CID 67508735) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide
• PubChem CID: 67508735
• Molecular Formula: C21H25ClN4O2
• Molecular Weight: 400.91 g/mol
• Exact Mass: 400.17
• IUPAC Name: 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide
• SMILES: Cc1cccnc1-c1cc(N2CCC(C(=O)NC3CCOC3)CC2)ncc1Cl
• InChI: InChI=1S/C21H25ClN4O2/c1-14-3-2-7-23-20(14)17-11-19(24-12-18(17)22)26-8-4-15(5-9-26)21(27)25-16-6-10-28-13-16/h2-3,7,11-12,15-16H,4-6,8-10,13H2,1H3,(H,25,27)
• InChIKey: BZNIPQGIZHOORN-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.91
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide?

The IUPAC name of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide (CID 67508735) is 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide.

What is the SMILES notation for 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide?

The canonical SMILES for 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide is Cc1cccnc1-c1cc(N2CCC(C(=O)NC3CCOC3)CC2)ncc1Cl.

What is the InChIKey of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide?

The InChIKey is BZNIPQGIZHOORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O2/c1-14-3-2-7-23-20(14)17-11-19(24-12-18(17)22)26-8-4-15(5-9-26)21(27)25-16-6-10-28-13-16/h2-3,7,11-12,15-16H,4-6,8-10,13H2,1H3,(H,25,27).

What are the key properties of 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide?

1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide has a molecular weight of 400.91 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 67508735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).