N'-[5-[5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-2-pyridinyl]ethanimidamide

C28H37N5O — CID 166655376

About N'-[5-[5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-2-pyridinyl]ethanimidamide

N'-[5-[5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-2-pyridinyl]ethanimidamide (PubChem CID 166655376) has the molecular formula C28H37N5O and a molecular weight of 459.64 g/mol. Its IUPAC name is N'-[5-[5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-2-pyridinyl]ethanimidamide.

Molecular Properties

• Compound Name: N'-[5-[5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-2-pyridinyl]ethanimidamide
• PubChem CID: 166655376
• Molecular Formula: C28H37N5O
• Molecular Weight: 459.64 g/mol
• Exact Mass: 459.30
• IUPAC Name: N'-[5-[5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-2-pyridinyl]ethanimidamide
• SMILES: C/C(N)=N\c1ccc(-c2[nH]c3ccc(C4CCN(C5CCOCC5)CC4)cc3c2C(C)C)cn1
• InChI: InChI=1S/C28H37N5O/c1-18(2)27-24-16-21(20-8-12-33(13-9-20)23-10-14-34-15-11-23)4-6-25(24)32-28(27)22-5-7-26(30-17-22)31-19(3)29/h4-7,16-18,20,23,32H,8-15H2,1-3H3,(H2,29,30,31)
• InChIKey: UEDNIWPPLCTPED-UHFFFAOYSA-N
• XLogP: 5.72
• TPSA: 79.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.64
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N'-[5-[5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-2-pyridinyl]ethanimidamide?

The IUPAC name of N'-[5-[5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-2-pyridinyl]ethanimidamide (CID 166655376) is N'-[5-[5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-2-pyridinyl]ethanimidamide.

What is the SMILES notation for N'-[5-[5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-2-pyridinyl]ethanimidamide?

The canonical SMILES for N'-[5-[5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-2-pyridinyl]ethanimidamide is C/C(N)=N\c1ccc(-c2[nH]c3ccc(C4CCN(C5CCOCC5)CC4)cc3c2C(C)C)cn1.

What is the InChIKey of N'-[5-[5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-2-pyridinyl]ethanimidamide?

The InChIKey is UEDNIWPPLCTPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O/c1-18(2)27-24-16-21(20-8-12-33(13-9-20)23-10-14-34-15-11-23)4-6-25(24)32-28(27)22-5-7-26(30-17-22)31-19(3)29/h4-7,16-18,20,23,32H,8-15H2,1-3H3,(H2,29,30,31).

What are the key properties of N'-[5-[5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-2-pyridinyl]ethanimidamide?

N'-[5-[5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-2-pyridinyl]ethanimidamide has a molecular weight of 459.64 g/mol, XLogP of 5.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[5-[5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-2-pyridinyl]ethanimidamide is sourced from PubChem (CID 166655376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).