3,5-dichloro-N-[3-[4-[(6-fluoro-2-pyridinyl)oxy-(1,3-oxazol-2-yl)methyl]piperidin-1-yl]butyl]pyridine-4-carboxamide

C24H26Cl2FN5O3 — CID 11191638

About 3,5-dichloro-N-[3-[4-[(6-fluoro-2-pyridinyl)oxy-(1,3-oxazol-2-yl)methyl]piperidin-1-yl]butyl]pyridine-4-carboxamide

3,5-dichloro-N-[3-[4-[(6-fluoro-2-pyridinyl)oxy-(1,3-oxazol-2-yl)methyl]piperidin-1-yl]butyl]pyridine-4-carboxamide (PubChem CID 11191638) has the molecular formula C24H26Cl2FN5O3 and a molecular weight of 522.41 g/mol. Its IUPAC name is 3,5-dichloro-N-[3-[4-[(6-fluoro-2-pyridinyl)oxy-(1,3-oxazol-2-yl)methyl]piperidin-1-yl]butyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 3,5-dichloro-N-[3-[4-[(6-fluoro-2-pyridinyl)oxy-(1,3-oxazol-2-yl)methyl]piperidin-1-yl]butyl]pyridine-4-carboxamide
• PubChem CID: 11191638
• Molecular Formula: C24H26Cl2FN5O3
• Molecular Weight: 522.41 g/mol
• Exact Mass: 521.14
• IUPAC Name: 3,5-dichloro-N-[3-[4-[(6-fluoro-2-pyridinyl)oxy-(1,3-oxazol-2-yl)methyl]piperidin-1-yl]butyl]pyridine-4-carboxamide
• SMILES: CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2cccc(F)n2)c2ncco2)CC1
• InChI: InChI=1S/C24H26Cl2FN5O3/c1-15(5-8-29-23(33)21-17(25)13-28-14-18(21)26)32-10-6-16(7-11-32)22(24-30-9-12-34-24)35-20-4-2-3-19(27)31-20/h2-4,9,12-16,22H,5-8,10-11H2,1H3,(H,29,33)
• InChIKey: HDYJZEVBIGKWDH-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 93.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.41
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[3-[4-[(6-fluoro-2-pyridinyl)oxy-(1,3-oxazol-2-yl)methyl]piperidin-1-yl]butyl]pyridine-4-carboxamide?

The IUPAC name of 3,5-dichloro-N-[3-[4-[(6-fluoro-2-pyridinyl)oxy-(1,3-oxazol-2-yl)methyl]piperidin-1-yl]butyl]pyridine-4-carboxamide (CID 11191638) is 3,5-dichloro-N-[3-[4-[(6-fluoro-2-pyridinyl)oxy-(1,3-oxazol-2-yl)methyl]piperidin-1-yl]butyl]pyridine-4-carboxamide.

What is the SMILES notation for 3,5-dichloro-N-[3-[4-[(6-fluoro-2-pyridinyl)oxy-(1,3-oxazol-2-yl)methyl]piperidin-1-yl]butyl]pyridine-4-carboxamide?

The canonical SMILES for 3,5-dichloro-N-[3-[4-[(6-fluoro-2-pyridinyl)oxy-(1,3-oxazol-2-yl)methyl]piperidin-1-yl]butyl]pyridine-4-carboxamide is CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(C(Oc2cccc(F)n2)c2ncco2)CC1.

What is the InChIKey of 3,5-dichloro-N-[3-[4-[(6-fluoro-2-pyridinyl)oxy-(1,3-oxazol-2-yl)methyl]piperidin-1-yl]butyl]pyridine-4-carboxamide?

The InChIKey is HDYJZEVBIGKWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2FN5O3/c1-15(5-8-29-23(33)21-17(25)13-28-14-18(21)26)32-10-6-16(7-11-32)22(24-30-9-12-34-24)35-20-4-2-3-19(27)31-20/h2-4,9,12-16,22H,5-8,10-11H2,1H3,(H,29,33).

What are the key properties of 3,5-dichloro-N-[3-[4-[(6-fluoro-2-pyridinyl)oxy-(1,3-oxazol-2-yl)methyl]piperidin-1-yl]butyl]pyridine-4-carboxamide?

3,5-dichloro-N-[3-[4-[(6-fluoro-2-pyridinyl)oxy-(1,3-oxazol-2-yl)methyl]piperidin-1-yl]butyl]pyridine-4-carboxamide has a molecular weight of 522.41 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dichloro-N-[3-[4-[(6-fluoro-2-pyridinyl)oxy-(1,3-oxazol-2-yl)methyl]piperidin-1-yl]butyl]pyridine-4-carboxamide is sourced from PubChem (CID 11191638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).