2-amino-4-(3-bromophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile

C20H21BrN4O2 — CID 3765358

About 2-amino-4-(3-bromophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile

2-amino-4-(3-bromophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 3765358) has the molecular formula C20H21BrN4O2 and a molecular weight of 429.32 g/mol. Its IUPAC name is 2-amino-4-(3-bromophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-amino-4-(3-bromophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
• PubChem CID: 3765358
• Molecular Formula: C20H21BrN4O2
• Molecular Weight: 429.32 g/mol
• Exact Mass: 428.08
• IUPAC Name: 2-amino-4-(3-bromophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
• SMILES: Cc1cc2c(c(=O)n1CCN(C)C)C(c1cccc(Br)c1)C(C#N)=C(N)O2
• InChI: InChI=1S/C20H21BrN4O2/c1-12-9-16-18(20(26)25(12)8-7-24(2)3)17(15(11-22)19(23)27-16)13-5-4-6-14(21)10-13/h4-6,9-10,17H,7-8,23H2,1-3H3
• InChIKey: JISJVYNLYPMBIN-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 84.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.32
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-bromophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?

The IUPAC name of 2-amino-4-(3-bromophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 3765358) is 2-amino-4-(3-bromophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

What is the SMILES notation for 2-amino-4-(3-bromophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?

The canonical SMILES for 2-amino-4-(3-bromophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile is Cc1cc2c(c(=O)n1CCN(C)C)C(c1cccc(Br)c1)C(C#N)=C(N)O2.

What is the InChIKey of 2-amino-4-(3-bromophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?

The InChIKey is JISJVYNLYPMBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN4O2/c1-12-9-16-18(20(26)25(12)8-7-24(2)3)17(15(11-22)19(23)27-16)13-5-4-6-14(21)10-13/h4-6,9-10,17H,7-8,23H2,1-3H3.

What are the key properties of 2-amino-4-(3-bromophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?

2-amino-4-(3-bromophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 429.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-4-(3-bromophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 3765358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).