N-[3-amino-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;5-bromo-1H-pyridin-2-one;N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;methane

C₄₇H₆₁Br₂N₉O₅ — CID 158020636

About N-[3-amino-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;5-bromo-1H-pyridin-2-one;N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;methane

N-[3-amino-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;5-bromo-1H-pyridin-2-one;N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;methane (PubChem CID 158020636) has the molecular formula C₄₇H₆₁Br₂N₉O₅ and a molecular weight of 991.87 g/mol. Its IUPAC name is N-[3-amino-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;5-bromo-1H-pyridin-2-one;N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;methane.

Molecular Properties

• Compound Name: N-[3-amino-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;5-bromo-1H-pyridin-2-one;N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;methane
• PubChem CID: 158020636
• Molecular Formula: C₄₇H₆₁Br₂N₉O₅
• Molecular Weight: 991.87 g/mol
• Exact Mass: 989.32
• IUPAC Name: N-[3-amino-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;5-bromo-1H-pyridin-2-one;N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;methane
• SMILES: C.C.C.C.C.C.CC(=O)Nc1cc(N)cc(-c2ccc(=O)n(C)c2)c1.CC(=O)Nc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2ccc(=O)n(C)c2)c1.O=c1ccc(Br)c[nH]1
• InChI: InChI=1S/C22H18BrN5O2.C14H15N3O2.C5H4BrNO.6CH4/c1-13(29)25-18-8-15(14-3-6-21(30)28(2)12-14)9-19(10-18)26-22-24-11-16-7-17(23)4-5-20(16)27-22;1-9(18)16-13-6-11(5-12(15)7-13)10-3-4-14(19)17(2)8-10;6-4-1-2-5(8)7-3-4;;;;;;/h3-12H,1-2H3,(H,25,29)(H,24,26,27);3-8H,15H2,1-2H3,(H,16,18);1-3H,(H,7,8);6*1H4
• InChIKey: FGACEAHDBTXVHV-UHFFFAOYSA-N
• XLogP: 11.01
• TPSA: 198.89 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	991.87
LogP ≤ 5	11.01
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;5-bromo-1H-pyridin-2-one;N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;methane?

The IUPAC name of N-[3-amino-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;5-bromo-1H-pyridin-2-one;N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;methane (CID 158020636) is N-[3-amino-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;5-bromo-1H-pyridin-2-one;N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;methane.

What is the SMILES notation for N-[3-amino-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;5-bromo-1H-pyridin-2-one;N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;methane?

The canonical SMILES for N-[3-amino-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;5-bromo-1H-pyridin-2-one;N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;methane is C.C.C.C.C.C.CC(=O)Nc1cc(N)cc(-c2ccc(=O)n(C)c2)c1.CC(=O)Nc1cc(Nc2ncc3cc(Br)ccc3n2)cc(-c2ccc(=O)n(C)c2)c1.O=c1ccc(Br)c[nH]1.

What is the InChIKey of N-[3-amino-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;5-bromo-1H-pyridin-2-one;N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;methane?

The InChIKey is FGACEAHDBTXVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN5O2.C14H15N3O2.C5H4BrNO.6CH4/c1-13(29)25-18-8-15(14-3-6-21(30)28(2)12-14)9-19(10-18)26-22-24-11-16-7-17(23)4-5-20(16)27-22;1-9(18)16-13-6-11(5-12(15)7-13)10-3-4-14(19)17(2)8-10;6-4-1-2-5(8)7-3-4;;;;;;/h3-12H,1-2H3,(H,25,29)(H,24,26,27);3-8H,15H2,1-2H3,(H,16,18);1-3H,(H,7,8);6*1H4.

What are the key properties of N-[3-amino-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;5-bromo-1H-pyridin-2-one;N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;methane?

N-[3-amino-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;5-bromo-1H-pyridin-2-one;N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;methane has a molecular weight of 991.87 g/mol, XLogP of 11.01, 6 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-amino-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;5-bromo-1H-pyridin-2-one;N-[3-[(6-bromoquinazolin-2-yl)amino]-5-(1-methyl-6-oxo-3-pyridinyl)phenyl]acetamide;methane is sourced from PubChem (CID 158020636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158020636 — identifiers, structure, computed properties (public domain)

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