1-[2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol

C18H21N7O2 — CID 72915781

About 1-[2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol

1-[2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol (PubChem CID 72915781) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-[2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol.

Molecular Properties

• Compound Name: 1-[2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol
• PubChem CID: 72915781
• Molecular Formula: C18H21N7O2
• Molecular Weight: 367.41 g/mol
• Exact Mass: 367.18
• IUPAC Name: 1-[2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol
• SMILES: CN(Cc1nc(-c2ccncc2)no1)c1nccc(N2CCC(O)CC2)n1
• InChI: InChI=1S/C18H21N7O2/c1-24(12-16-22-17(23-27-16)13-2-7-19-8-3-13)18-20-9-4-15(21-18)25-10-5-14(26)6-11-25/h2-4,7-9,14,26H,5-6,10-12H2,1H3
• InChIKey: ZOGVPBRMNARMIY-UHFFFAOYSA-N
• XLogP: 1.52
• TPSA: 104.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.41
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol?

The IUPAC name of 1-[2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol (CID 72915781) is 1-[2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol.

What is the SMILES notation for 1-[2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol?

The canonical SMILES for 1-[2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol is CN(Cc1nc(-c2ccncc2)no1)c1nccc(N2CCC(O)CC2)n1.

What is the InChIKey of 1-[2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol?

The InChIKey is ZOGVPBRMNARMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-24(12-16-22-17(23-27-16)13-2-7-19-8-3-13)18-20-9-4-15(21-18)25-10-5-14(26)6-11-25/h2-4,7-9,14,26H,5-6,10-12H2,1H3.

What are the key properties of 1-[2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol?

1-[2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol has a molecular weight of 367.41 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[methyl-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidin-4-yl]piperidin-4-ol is sourced from PubChem (CID 72915781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).