N-(2-amino-3-pyridinyl)-N-[1-[2-[5-(3-chloro-5-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]formamide

C25H28ClN7O4 — CID 89219989

About N-(2-amino-3-pyridinyl)-N-[1-[2-[5-(3-chloro-5-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]formamide

N-(2-amino-3-pyridinyl)-N-[1-[2-[5-(3-chloro-5-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]formamide (PubChem CID 89219989) has the molecular formula C25H28ClN7O4 and a molecular weight of 526.00 g/mol. Its IUPAC name is N-(2-amino-3-pyridinyl)-N-[1-[2-[5-(3-chloro-5-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]formamide.

Molecular Properties

• Compound Name: N-(2-amino-3-pyridinyl)-N-[1-[2-[5-(3-chloro-5-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]formamide
• PubChem CID: 89219989
• Molecular Formula: C25H28ClN7O4
• Molecular Weight: 526.00 g/mol
• Exact Mass: 525.19
• IUPAC Name: N-(2-amino-3-pyridinyl)-N-[1-[2-[5-(3-chloro-5-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]formamide
• SMILES: Nc1ncccc1N(C=O)C1CCN(C(=O)Cc2nnc(-c3cc(Cl)cc(N4CCOCC4)c3)o2)CC1
• InChI: InChI=1S/C25H28ClN7O4/c26-18-12-17(13-20(14-18)31-8-10-36-11-9-31)25-30-29-22(37-25)15-23(35)32-6-3-19(4-7-32)33(16-34)21-2-1-5-28-24(21)27/h1-2,5,12-14,16,19H,3-4,6-11,15H2,(H2,27,28)
• InChIKey: SZCKHPODGULTAT-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 130.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.00
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-pyridinyl)-N-[1-[2-[5-(3-chloro-5-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]formamide?

The IUPAC name of N-(2-amino-3-pyridinyl)-N-[1-[2-[5-(3-chloro-5-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]formamide (CID 89219989) is N-(2-amino-3-pyridinyl)-N-[1-[2-[5-(3-chloro-5-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]formamide.

What is the SMILES notation for N-(2-amino-3-pyridinyl)-N-[1-[2-[5-(3-chloro-5-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]formamide?

The canonical SMILES for N-(2-amino-3-pyridinyl)-N-[1-[2-[5-(3-chloro-5-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]formamide is Nc1ncccc1N(C=O)C1CCN(C(=O)Cc2nnc(-c3cc(Cl)cc(N4CCOCC4)c3)o2)CC1.

What is the InChIKey of N-(2-amino-3-pyridinyl)-N-[1-[2-[5-(3-chloro-5-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]formamide?

The InChIKey is SZCKHPODGULTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN7O4/c26-18-12-17(13-20(14-18)31-8-10-36-11-9-31)25-30-29-22(37-25)15-23(35)32-6-3-19(4-7-32)33(16-34)21-2-1-5-28-24(21)27/h1-2,5,12-14,16,19H,3-4,6-11,15H2,(H2,27,28).

What are the key properties of N-(2-amino-3-pyridinyl)-N-[1-[2-[5-(3-chloro-5-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]formamide?

N-(2-amino-3-pyridinyl)-N-[1-[2-[5-(3-chloro-5-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]formamide has a molecular weight of 526.00 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-3-pyridinyl)-N-[1-[2-[5-(3-chloro-5-morpholin-4-ylphenyl)-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]formamide is sourced from PubChem (CID 89219989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).