2-bromo-4-[(2,6-dimethylpiperidin-3-yl)amino]thieno[3,2-c]pyridine-7-carbonitrile

C15H17BrN4S — CID 68503273

IUPAC2-bromo-4-[(2,6-dimethylpiperidin-3-yl)amino]thieno[3,2-c]pyridine-7-carbonitrile
SMILESCC1CCC(Nc2ncc(C#N)c3sc(Br)cc23)C(C)N1
InChIInChI=1S/C15H17BrN4S/c1-8-3-4-12(9(2)19-8)20-15-11-5-13(16)21-14(11)10(6-17)7-18-15/h5,7-9,12,19H,3-4H2,1-2H3,(H,18,20)
InChIKeyXIXWYCGPAYWOBU-UHFFFAOYSA-N
MW365.30 g/mol
LogP3.87
Rot. Bonds2

About 2-bromo-4-[(2,6-dimethylpiperidin-3-yl)amino]thieno[3,2-c]pyridine-7-carbonitrile

2-bromo-4-[(2,6-dimethylpiperidin-3-yl)amino]thieno[3,2-c]pyridine-7-carbonitrile (PubChem CID 68503273) has the molecular formula C15H17BrN4S and a molecular weight of 365.30 g/mol. Its IUPAC name is 2-bromo-4-[(2,6-dimethylpiperidin-3-yl)amino]thieno[3,2-c]pyridine-7-carbonitrile.

Molecular Properties

Compound Name2-bromo-4-[(2,6-dimethylpiperidin-3-yl)amino]thieno[3,2-c]pyridine-7-carbonitrile
PubChem CID68503273
Molecular FormulaC15H17BrN4S
Molecular Weight365.30 g/mol
Exact Mass364.04
IUPAC Name2-bromo-4-[(2,6-dimethylpiperidin-3-yl)amino]thieno[3,2-c]pyridine-7-carbonitrile
SMILESCC1CCC(Nc2ncc(C#N)c3sc(Br)cc23)C(C)N1
InChIInChI=1S/C15H17BrN4S/c1-8-3-4-12(9(2)19-8)20-15-11-5-13(16)21-14(11)10(6-17)7-18-15/h5,7-9,12,19H,3-4H2,1-2H3,(H,18,20)
InChIKeyXIXWYCGPAYWOBU-UHFFFAOYSA-N
XLogP3.87
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(2,6-dimethylpiperidin-3-yl)amino]thieno[3,2-c]pyridine-7-carbonitrile?
The IUPAC name of 2-bromo-4-[(2,6-dimethylpiperidin-3-yl)amino]thieno[3,2-c]pyridine-7-carbonitrile (CID 68503273) is 2-bromo-4-[(2,6-dimethylpiperidin-3-yl)amino]thieno[3,2-c]pyridine-7-carbonitrile.
What is the SMILES notation for 2-bromo-4-[(2,6-dimethylpiperidin-3-yl)amino]thieno[3,2-c]pyridine-7-carbonitrile?
The canonical SMILES for 2-bromo-4-[(2,6-dimethylpiperidin-3-yl)amino]thieno[3,2-c]pyridine-7-carbonitrile is CC1CCC(Nc2ncc(C#N)c3sc(Br)cc23)C(C)N1.
What is the InChIKey of 2-bromo-4-[(2,6-dimethylpiperidin-3-yl)amino]thieno[3,2-c]pyridine-7-carbonitrile?
The InChIKey is XIXWYCGPAYWOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4S/c1-8-3-4-12(9(2)19-8)20-15-11-5-13(16)21-14(11)10(6-17)7-18-15/h5,7-9,12,19H,3-4H2,1-2H3,(H,18,20).
What are the key properties of 2-bromo-4-[(2,6-dimethylpiperidin-3-yl)amino]thieno[3,2-c]pyridine-7-carbonitrile?
2-bromo-4-[(2,6-dimethylpiperidin-3-yl)amino]thieno[3,2-c]pyridine-7-carbonitrile has a molecular weight of 365.30 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(2,6-dimethylpiperidin-3-yl)amino]thieno[3,2-c]pyridine-7-carbonitrile is sourced from PubChem (CID 68503273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).