4-propan-2-yl-3-[2-[1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

C23H30N6O3 — CID 123932230

About 4-propan-2-yl-3-[2-[1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

4-propan-2-yl-3-[2-[1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 123932230) has the molecular formula C23H30N6O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is 4-propan-2-yl-3-[2-[1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 4-propan-2-yl-3-[2-[1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
• PubChem CID: 123932230
• Molecular Formula: C23H30N6O3
• Molecular Weight: 438.53 g/mol
• Exact Mass: 438.24
• IUPAC Name: 4-propan-2-yl-3-[2-[1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
• SMILES: CC(C)C1COC(=O)N1c1ccnc(NC(C)C2CCN(C(=O)c3ccncc3)CC2)n1
• InChI: InChI=1S/C23H30N6O3/c1-15(2)19-14-32-23(31)29(19)20-6-11-25-22(27-20)26-16(3)17-7-12-28(13-8-17)21(30)18-4-9-24-10-5-18/h4-6,9-11,15-17,19H,7-8,12-14H2,1-3H3,(H,25,26,27)
• InChIKey: WHCRZVSQJQGQQW-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 100.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.53
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-3-[2-[1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?

The IUPAC name of 4-propan-2-yl-3-[2-[1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 123932230) is 4-propan-2-yl-3-[2-[1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 4-propan-2-yl-3-[2-[1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?

The canonical SMILES for 4-propan-2-yl-3-[2-[1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is CC(C)C1COC(=O)N1c1ccnc(NC(C)C2CCN(C(=O)c3ccncc3)CC2)n1.

What is the InChIKey of 4-propan-2-yl-3-[2-[1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?

The InChIKey is WHCRZVSQJQGQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3/c1-15(2)19-14-32-23(31)29(19)20-6-11-25-22(27-20)26-16(3)17-7-12-28(13-8-17)21(30)18-4-9-24-10-5-18/h4-6,9-11,15-17,19H,7-8,12-14H2,1-3H3,(H,25,26,27).

What are the key properties of 4-propan-2-yl-3-[2-[1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?

4-propan-2-yl-3-[2-[1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 438.53 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-propan-2-yl-3-[2-[1-[1-(pyridine-4-carbonyl)piperidin-4-yl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 123932230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).