N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide

C₂₆H₂₇N₅O₂ — CID 164756425

About N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide

N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide (PubChem CID 164756425) has the molecular formula C₂₆H₂₇N₅O₂ and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide
• PubChem CID: 164756425
• Molecular Formula: C₂₆H₂₇N₅O₂
• Molecular Weight: 441.54 g/mol
• Exact Mass: 441.22
• IUPAC Name: N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide
• SMILES: C[C@H](CNC(C(=O)Nc1ccc(OC2CNC2)cn1)c1ccccc1)c1ccc(C#N)cc1
• InChI: InChI=1S/C26H27N5O2/c1-18(20-9-7-19(13-27)8-10-20)14-30-25(21-5-3-2-4-6-21)26(32)31-24-12-11-22(17-29-24)33-23-15-28-16-23/h2-12,17-18,23,25,28,30H,14-16H2,1H3,(H,29,31,32)/t18-,25?/m1/s1
• InChIKey: LVFJAMTZHSODNE-YDONVPIESA-N
• XLogP: 3.38
• TPSA: 99.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.54
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide?

The IUPAC name of N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide (CID 164756425) is N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide.

What is the SMILES notation for N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide?

The canonical SMILES for N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide is C[C@H](CNC(C(=O)Nc1ccc(OC2CNC2)cn1)c1ccccc1)c1ccc(C#N)cc1.

What is the InChIKey of N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide?

The InChIKey is LVFJAMTZHSODNE-YDONVPIESA-N. The full InChI is InChI=1S/C26H27N5O2/c1-18(20-9-7-19(13-27)8-10-20)14-30-25(21-5-3-2-4-6-21)26(32)31-24-12-11-22(17-29-24)33-23-15-28-16-23/h2-12,17-18,23,25,28,30H,14-16H2,1H3,(H,29,31,32)/t18-,25?/m1/s1.

What are the key properties of N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide?

N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide has a molecular weight of 441.54 g/mol, XLogP of 3.38, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(azetidin-3-yloxy)-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide is sourced from PubChem (CID 164756425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 164756425 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.