5-[[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]thieno[2,3-c]pyridine-2-carbonitrile

C16H18N4S — CID 172598875

IUPAC5-[[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]thieno[2,3-c]pyridine-2-carbonitrile
SMILESCN1C2CC[C@@H]1CC(Nc1cc3cc(C#N)sc3cn1)C2
InChIInChI=1S/C16H18N4S/c1-20-12-2-3-13(20)7-11(6-12)19-16-5-10-4-14(8-17)21-15(10)9-18-16/h4-5,9,11-13H,2-3,6-7H2,1H3,(H,18,19)/t11?,12-,13?/m1/s1
InChIKeyAZPBCAFUCXOAPY-OTTFEQOBSA-N
MW298.41 g/mol
LogP3.21
Rot. Bonds2

About 5-[[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]thieno[2,3-c]pyridine-2-carbonitrile

5-[[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]thieno[2,3-c]pyridine-2-carbonitrile (PubChem CID 172598875) has the molecular formula C16H18N4S and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-[[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]thieno[2,3-c]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]thieno[2,3-c]pyridine-2-carbonitrile
PubChem CID172598875
Molecular FormulaC16H18N4S
Molecular Weight298.41 g/mol
Exact Mass298.13
IUPAC Name5-[[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]thieno[2,3-c]pyridine-2-carbonitrile
SMILESCN1C2CC[C@@H]1CC(Nc1cc3cc(C#N)sc3cn1)C2
InChIInChI=1S/C16H18N4S/c1-20-12-2-3-13(20)7-11(6-12)19-16-5-10-4-14(8-17)21-15(10)9-18-16/h4-5,9,11-13H,2-3,6-7H2,1H3,(H,18,19)/t11?,12-,13?/m1/s1
InChIKeyAZPBCAFUCXOAPY-OTTFEQOBSA-N
XLogP3.21
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]thieno[2,3-c]pyridine-2-carbonitrile?
The IUPAC name of 5-[[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]thieno[2,3-c]pyridine-2-carbonitrile (CID 172598875) is 5-[[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]thieno[2,3-c]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]thieno[2,3-c]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]thieno[2,3-c]pyridine-2-carbonitrile is CN1C2CC[C@@H]1CC(Nc1cc3cc(C#N)sc3cn1)C2.
What is the InChIKey of 5-[[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]thieno[2,3-c]pyridine-2-carbonitrile?
The InChIKey is AZPBCAFUCXOAPY-OTTFEQOBSA-N. The full InChI is InChI=1S/C16H18N4S/c1-20-12-2-3-13(20)7-11(6-12)19-16-5-10-4-14(8-17)21-15(10)9-18-16/h4-5,9,11-13H,2-3,6-7H2,1H3,(H,18,19)/t11?,12-,13?/m1/s1.
What are the key properties of 5-[[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]thieno[2,3-c]pyridine-2-carbonitrile?
5-[[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]thieno[2,3-c]pyridine-2-carbonitrile has a molecular weight of 298.41 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]amino]thieno[2,3-c]pyridine-2-carbonitrile is sourced from PubChem (CID 172598875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).