2-amino-5-bromopyridine-4-carbonitrile;2-aminopyridine-4-carbonitrile;1-(5-bromo-2-methyl-4-pyridinyl)-N,N-dimethylmethanamine;bis((5-bromo-2-methyl-4-pyridinyl)methanamine);tert-butyl N-(5-bromo-4-cyano-2-pyridinyl)carbamate;oxan-4-one

C51H60Br5N15O4 — CID 161168641

About 2-amino-5-bromopyridine-4-carbonitrile;2-aminopyridine-4-carbonitrile;1-(5-bromo-2-methyl-4-pyridinyl)-N,N-dimethylmethanamine;bis((5-bromo-2-methyl-4-pyridinyl)methanamine);tert-butyl N-(5-bromo-4-cyano-2-pyridinyl)carbamate;oxan-4-one

2-amino-5-bromopyridine-4-carbonitrile;2-aminopyridine-4-carbonitrile;1-(5-bromo-2-methyl-4-pyridinyl)-N,N-dimethylmethanamine;bis((5-bromo-2-methyl-4-pyridinyl)methanamine);tert-butyl N-(5-bromo-4-cyano-2-pyridinyl)carbamate;oxan-4-one (PubChem CID 161168641) has the molecular formula C51H60Br5N15O4 and a molecular weight of 1346.66 g/mol. Its IUPAC name is 2-amino-5-bromopyridine-4-carbonitrile;2-aminopyridine-4-carbonitrile;1-(5-bromo-2-methyl-4-pyridinyl)-N,N-dimethylmethanamine;bis((5-bromo-2-methyl-4-pyridinyl)methanamine);tert-butyl N-(5-bromo-4-cyano-2-pyridinyl)carbamate;oxan-4-one.

Molecular Properties

• Compound Name: 2-amino-5-bromopyridine-4-carbonitrile;2-aminopyridine-4-carbonitrile;1-(5-bromo-2-methyl-4-pyridinyl)-N,N-dimethylmethanamine;bis((5-bromo-2-methyl-4-pyridinyl)methanamine);tert-butyl N-(5-bromo-4-cyano-2-pyridinyl)carbamate;oxan-4-one
• PubChem CID: 161168641
• Molecular Formula: C51H60Br5N15O4
• Molecular Weight: 1346.66 g/mol
• Exact Mass: 1341.09
• IUPAC Name: 2-amino-5-bromopyridine-4-carbonitrile;2-aminopyridine-4-carbonitrile;1-(5-bromo-2-methyl-4-pyridinyl)-N,N-dimethylmethanamine;bis((5-bromo-2-methyl-4-pyridinyl)methanamine);tert-butyl N-(5-bromo-4-cyano-2-pyridinyl)carbamate;oxan-4-one
• SMILES: CC(C)(C)OC(=O)Nc1cc(C#N)c(Br)cn1.Cc1cc(CN(C)C)c(Br)cn1.Cc1cc(CN)c(Br)cn1.Cc1cc(CN)c(Br)cn1.N#Cc1cc(N)ncc1Br.N#Cc1ccnc(N)c1.O=C1CCOCC1
• InChI: InChI=1S/C11H12BrN3O2.C9H13BrN2.2C7H9BrN2.C6H4BrN3.C6H5N3.C5H8O2/c1-11(2,3)17-10(16)15-9-4-7(5-13)8(12)6-14-9;1-7-4-8(6-12(2)3)9(10)5-11-7;2*1-5-2-6(3-9)7(8)4-10-5;7-5-3-10-6(9)1-4(5)2-8;7-4-5-1-2-9-6(8)3-5;6-5-1-3-7-4-2-5/h4,6H,1-3H3,(H,14,15,16);4-5H,6H2,1-3H3;2*2,4H,3,9H2,1H3;1,3H,(H2,9,10);1-3H,(H2,8,9);1-4H2
• InChIKey: UQWSKPKYMTWNOC-UHFFFAOYSA-N
• XLogP: 10.70
• TPSA: 320.66 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 5
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1346.66
LogP ≤ 5	10.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromopyridine-4-carbonitrile;2-aminopyridine-4-carbonitrile;1-(5-bromo-2-methyl-4-pyridinyl)-N,N-dimethylmethanamine;bis((5-bromo-2-methyl-4-pyridinyl)methanamine);tert-butyl N-(5-bromo-4-cyano-2-pyridinyl)carbamate;oxan-4-one?

The IUPAC name of 2-amino-5-bromopyridine-4-carbonitrile;2-aminopyridine-4-carbonitrile;1-(5-bromo-2-methyl-4-pyridinyl)-N,N-dimethylmethanamine;bis((5-bromo-2-methyl-4-pyridinyl)methanamine);tert-butyl N-(5-bromo-4-cyano-2-pyridinyl)carbamate;oxan-4-one (CID 161168641) is 2-amino-5-bromopyridine-4-carbonitrile;2-aminopyridine-4-carbonitrile;1-(5-bromo-2-methyl-4-pyridinyl)-N,N-dimethylmethanamine;bis((5-bromo-2-methyl-4-pyridinyl)methanamine);tert-butyl N-(5-bromo-4-cyano-2-pyridinyl)carbamate;oxan-4-one.

What is the SMILES notation for 2-amino-5-bromopyridine-4-carbonitrile;2-aminopyridine-4-carbonitrile;1-(5-bromo-2-methyl-4-pyridinyl)-N,N-dimethylmethanamine;bis((5-bromo-2-methyl-4-pyridinyl)methanamine);tert-butyl N-(5-bromo-4-cyano-2-pyridinyl)carbamate;oxan-4-one?

The canonical SMILES for 2-amino-5-bromopyridine-4-carbonitrile;2-aminopyridine-4-carbonitrile;1-(5-bromo-2-methyl-4-pyridinyl)-N,N-dimethylmethanamine;bis((5-bromo-2-methyl-4-pyridinyl)methanamine);tert-butyl N-(5-bromo-4-cyano-2-pyridinyl)carbamate;oxan-4-one is CC(C)(C)OC(=O)Nc1cc(C#N)c(Br)cn1.Cc1cc(CN(C)C)c(Br)cn1.Cc1cc(CN)c(Br)cn1.Cc1cc(CN)c(Br)cn1.N#Cc1cc(N)ncc1Br.N#Cc1ccnc(N)c1.O=C1CCOCC1.

What is the InChIKey of 2-amino-5-bromopyridine-4-carbonitrile;2-aminopyridine-4-carbonitrile;1-(5-bromo-2-methyl-4-pyridinyl)-N,N-dimethylmethanamine;bis((5-bromo-2-methyl-4-pyridinyl)methanamine);tert-butyl N-(5-bromo-4-cyano-2-pyridinyl)carbamate;oxan-4-one?

The InChIKey is UQWSKPKYMTWNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2.C9H13BrN2.2C7H9BrN2.C6H4BrN3.C6H5N3.C5H8O2/c1-11(2,3)17-10(16)15-9-4-7(5-13)8(12)6-14-9;1-7-4-8(6-12(2)3)9(10)5-11-7;2*1-5-2-6(3-9)7(8)4-10-5;7-5-3-10-6(9)1-4(5)2-8;7-4-5-1-2-9-6(8)3-5;6-5-1-3-7-4-2-5/h4,6H,1-3H3,(H,14,15,16);4-5H,6H2,1-3H3;2*2,4H,3,9H2,1H3;1,3H,(H2,9,10);1-3H,(H2,8,9);1-4H2.

What are the key properties of 2-amino-5-bromopyridine-4-carbonitrile;2-aminopyridine-4-carbonitrile;1-(5-bromo-2-methyl-4-pyridinyl)-N,N-dimethylmethanamine;bis((5-bromo-2-methyl-4-pyridinyl)methanamine);tert-butyl N-(5-bromo-4-cyano-2-pyridinyl)carbamate;oxan-4-one?

2-amino-5-bromopyridine-4-carbonitrile;2-aminopyridine-4-carbonitrile;1-(5-bromo-2-methyl-4-pyridinyl)-N,N-dimethylmethanamine;bis((5-bromo-2-methyl-4-pyridinyl)methanamine);tert-butyl N-(5-bromo-4-cyano-2-pyridinyl)carbamate;oxan-4-one has a molecular weight of 1346.66 g/mol, XLogP of 10.70, 5 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-bromopyridine-4-carbonitrile;2-aminopyridine-4-carbonitrile;1-(5-bromo-2-methyl-4-pyridinyl)-N,N-dimethylmethanamine;bis((5-bromo-2-methyl-4-pyridinyl)methanamine);tert-butyl N-(5-bromo-4-cyano-2-pyridinyl)carbamate;oxan-4-one is sourced from PubChem (CID 161168641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).