acetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide

C51H68BrN9O8 — CID 157153285

About acetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide

acetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide (PubChem CID 157153285) has the molecular formula C51H68BrN9O8 and a molecular weight of 1015.06 g/mol. Its IUPAC name is acetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: acetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide
• PubChem CID: 157153285
• Molecular Formula: C51H68BrN9O8
• Molecular Weight: 1015.06 g/mol
• Exact Mass: 1013.44
• IUPAC Name: acetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide
• SMILES: CC(=O)c1cc(Br)cnc1N.CC(=O)c1cccnc1N.CC(=O)c1cccnc1NC(=O)C(C)(C)C.CC(C)(C)C(=O)Cc1ccccn1.CC(O)c1cccnc1NC(=O)C(C)(C)C.CC=O
• InChI: InChI=1S/C12H18N2O2.C12H16N2O2.C11H15NO.C7H7BrN2O.C7H8N2O.C2H4O/c2*1-8(15)9-6-5-7-13-10(9)14-11(16)12(2,3)4;1-11(2,3)10(13)8-9-6-4-5-7-12-9;1-4(11)6-2-5(8)3-10-7(6)9;1-5(10)6-3-2-4-9-7(6)8;1-2-3/h5-8,15H,1-4H3,(H,13,14,16);5-7H,1-4H3,(H,13,14,16);4-7H,8H2,1-3H3;2-3H,1H3,(H2,9,10);2-4H,1H3,(H2,8,9);2H,1H3
• InChIKey: ALMXDOOBLZMYFE-UHFFFAOYSA-N
• XLogP: 9.33
• TPSA: 280.27 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1015.06
LogP ≤ 5	9.33
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide?

The IUPAC name of acetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide (CID 157153285) is acetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide.

What is the SMILES notation for acetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide?

The canonical SMILES for acetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide is CC(=O)c1cc(Br)cnc1N.CC(=O)c1cccnc1N.CC(=O)c1cccnc1NC(=O)C(C)(C)C.CC(C)(C)C(=O)Cc1ccccn1.CC(O)c1cccnc1NC(=O)C(C)(C)C.CC=O.

What is the InChIKey of acetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide?

The InChIKey is ALMXDOOBLZMYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2.C12H16N2O2.C11H15NO.C7H7BrN2O.C7H8N2O.C2H4O/c2*1-8(15)9-6-5-7-13-10(9)14-11(16)12(2,3)4;1-11(2,3)10(13)8-9-6-4-5-7-12-9;1-4(11)6-2-5(8)3-10-7(6)9;1-5(10)6-3-2-4-9-7(6)8;1-2-3/h5-8,15H,1-4H3,(H,13,14,16);5-7H,1-4H3,(H,13,14,16);4-7H,8H2,1-3H3;2-3H,1H3,(H2,9,10);2-4H,1H3,(H2,8,9);2H,1H3.

What are the key properties of acetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide?

acetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide has a molecular weight of 1015.06 g/mol, XLogP of 9.33, 8 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for acetaldehyde;N-(3-acetyl-2-pyridinyl)-2,2-dimethylpropanamide;1-(2-amino-5-bromo-3-pyridinyl)ethanone;1-(2-amino-3-pyridinyl)ethanone;3,3-dimethyl-1-pyridin-2-ylbutan-2-one;N-[3-(1-hydroxyethyl)-2-pyridinyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 157153285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).