3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one

C23H27N5O3 — CID 67380804

About 3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one

3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 67380804) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
• PubChem CID: 67380804
• Molecular Formula: C23H27N5O3
• Molecular Weight: 421.50 g/mol
• Exact Mass: 421.21
• IUPAC Name: 3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one
• SMILES: Cc1cc(C2CC2)cnc1N1CCN(C(=O)c2ccc(N3C(=O)OCC3C)nc2)CC1
• InChI: InChI=1S/C23H27N5O3/c1-15-11-19(17-3-4-17)13-25-21(15)26-7-9-27(10-8-26)22(29)18-5-6-20(24-12-18)28-16(2)14-31-23(28)30/h5-6,11-13,16-17H,3-4,7-10,14H2,1-2H3
• InChIKey: KTKSDSYILQXZLQ-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 78.87 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one?

The IUPAC name of 3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one (CID 67380804) is 3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one is Cc1cc(C2CC2)cnc1N1CCN(C(=O)c2ccc(N3C(=O)OCC3C)nc2)CC1.

What is the InChIKey of 3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one?

The InChIKey is KTKSDSYILQXZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-15-11-19(17-3-4-17)13-25-21(15)26-7-9-27(10-8-26)22(29)18-5-6-20(24-12-18)28-16(2)14-31-23(28)30/h5-6,11-13,16-17H,3-4,7-10,14H2,1-2H3.

What are the key properties of 3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one?

3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 421.50 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 67380804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).