4-bromo-5-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]furo[2,3-c]pyridine-2-carbonitrile

C17H14BrN5O — CID 172599108

About 4-bromo-5-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]furo[2,3-c]pyridine-2-carbonitrile

4-bromo-5-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]furo[2,3-c]pyridine-2-carbonitrile (PubChem CID 172599108) has the molecular formula C17H14BrN5O and a molecular weight of 384.24 g/mol. Its IUPAC name is 4-bromo-5-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]furo[2,3-c]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 4-bromo-5-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]furo[2,3-c]pyridine-2-carbonitrile
• PubChem CID: 172599108
• Molecular Formula: C17H14BrN5O
• Molecular Weight: 384.24 g/mol
• Exact Mass: 383.04
• IUPAC Name: 4-bromo-5-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]furo[2,3-c]pyridine-2-carbonitrile
• SMILES: CN1CCc2nc(Nc3ncc4oc(C#N)cc4c3Br)ccc2C1
• InChI: InChI=1S/C17H14BrN5O/c1-23-5-4-13-10(9-23)2-3-15(21-13)22-17-16(18)12-6-11(7-19)24-14(12)8-20-17/h2-3,6,8H,4-5,9H2,1H3,(H,20,21,22)
• InChIKey: QBIHBJVTPSFNEU-UHFFFAOYSA-N
• XLogP: 3.59
• TPSA: 77.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.24
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]furo[2,3-c]pyridine-2-carbonitrile?

The IUPAC name of 4-bromo-5-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]furo[2,3-c]pyridine-2-carbonitrile (CID 172599108) is 4-bromo-5-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]furo[2,3-c]pyridine-2-carbonitrile.

What is the SMILES notation for 4-bromo-5-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]furo[2,3-c]pyridine-2-carbonitrile?

The canonical SMILES for 4-bromo-5-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]furo[2,3-c]pyridine-2-carbonitrile is CN1CCc2nc(Nc3ncc4oc(C#N)cc4c3Br)ccc2C1.

What is the InChIKey of 4-bromo-5-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]furo[2,3-c]pyridine-2-carbonitrile?

The InChIKey is QBIHBJVTPSFNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN5O/c1-23-5-4-13-10(9-23)2-3-15(21-13)22-17-16(18)12-6-11(7-19)24-14(12)8-20-17/h2-3,6,8H,4-5,9H2,1H3,(H,20,21,22).

What are the key properties of 4-bromo-5-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]furo[2,3-c]pyridine-2-carbonitrile?

4-bromo-5-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]furo[2,3-c]pyridine-2-carbonitrile has a molecular weight of 384.24 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-5-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]furo[2,3-c]pyridine-2-carbonitrile is sourced from PubChem (CID 172599108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).