N-[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]acetamide;N-cyclohexyl-N-ethylacetamide

C34H44N4O3 — CID 145109272

About N-[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]acetamide;N-cyclohexyl-N-ethylacetamide

N-[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]acetamide;N-cyclohexyl-N-ethylacetamide (PubChem CID 145109272) has the molecular formula C34H44N4O3 and a molecular weight of 556.75 g/mol. Its IUPAC name is N-[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]acetamide;N-cyclohexyl-N-ethylacetamide.

Molecular Properties

• Compound Name: N-[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]acetamide;N-cyclohexyl-N-ethylacetamide
• PubChem CID: 145109272
• Molecular Formula: C34H44N4O3
• Molecular Weight: 556.75 g/mol
• Exact Mass: 556.34
• IUPAC Name: N-[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]acetamide;N-cyclohexyl-N-ethylacetamide
• SMILES: CC(=O)Nc1cc(-c2ccccc2)c(-c2ccc(C3(N)CC(C)(O)C3)cc2)cn1.CCN(C(C)=O)C1CCCCC1
• InChI: InChI=1S/C24H25N3O2.C10H19NO/c1-16(28)27-22-12-20(17-6-4-3-5-7-17)21(13-26-22)18-8-10-19(11-9-18)24(25)14-23(2,29)15-24;1-3-11(9(2)12)10-7-5-4-6-8-10/h3-13,29H,14-15,25H2,1-2H3,(H,26,27,28);10H,3-8H2,1-2H3
• InChIKey: MQEQISDEIYSREW-UHFFFAOYSA-N
• XLogP: 6.26
• TPSA: 108.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.75
LogP ≤ 5	6.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]acetamide;N-cyclohexyl-N-ethylacetamide?

The IUPAC name of N-[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]acetamide;N-cyclohexyl-N-ethylacetamide (CID 145109272) is N-[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]acetamide;N-cyclohexyl-N-ethylacetamide.

What is the SMILES notation for N-[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]acetamide;N-cyclohexyl-N-ethylacetamide?

The canonical SMILES for N-[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]acetamide;N-cyclohexyl-N-ethylacetamide is CC(=O)Nc1cc(-c2ccccc2)c(-c2ccc(C3(N)CC(C)(O)C3)cc2)cn1.CCN(C(C)=O)C1CCCCC1.

What is the InChIKey of N-[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]acetamide;N-cyclohexyl-N-ethylacetamide?

The InChIKey is MQEQISDEIYSREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2.C10H19NO/c1-16(28)27-22-12-20(17-6-4-3-5-7-17)21(13-26-22)18-8-10-19(11-9-18)24(25)14-23(2,29)15-24;1-3-11(9(2)12)10-7-5-4-6-8-10/h3-13,29H,14-15,25H2,1-2H3,(H,26,27,28);10H,3-8H2,1-2H3.

What are the key properties of N-[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]acetamide;N-cyclohexyl-N-ethylacetamide?

N-[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]acetamide;N-cyclohexyl-N-ethylacetamide has a molecular weight of 556.75 g/mol, XLogP of 6.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-4-phenyl-2-pyridinyl]acetamide;N-cyclohexyl-N-ethylacetamide is sourced from PubChem (CID 145109272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).