N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[2,3-b]pyridine-2-carboxamide

C15H17N3OS — CID 66814630

IUPACN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2cccnc2s1
InChIInChI=1S/C15H17N3OS/c19-14(13-7-11-2-1-4-16-15(11)20-13)17-12-6-10-3-5-18(8-10)9-12/h1-2,4,7,10,12H,3,5-6,8-9H2,(H,17,19)/t10-,12-/m1/s1
InChIKeyVJRHKWLZVFZTFX-ZYHUDNBSSA-N
MW287.39 g/mol
LogP2.12
Rot. Bonds2

About N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[2,3-b]pyridine-2-carboxamide

N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 66814630) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID66814630
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2cccnc2s1
InChIInChI=1S/C15H17N3OS/c19-14(13-7-11-2-1-4-16-15(11)20-13)17-12-6-10-3-5-18(8-10)9-12/h1-2,4,7,10,12H,3,5-6,8-9H2,(H,17,19)/t10-,12-/m1/s1
InChIKeyVJRHKWLZVFZTFX-ZYHUDNBSSA-N
XLogP2.12
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 66814630) is N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[2,3-b]pyridine-2-carboxamide is O=C(N[C@@H]1C[C@H]2CCN(C2)C1)c1cc2cccnc2s1.
What is the InChIKey of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is VJRHKWLZVFZTFX-ZYHUDNBSSA-N. The full InChI is InChI=1S/C15H17N3OS/c19-14(13-7-11-2-1-4-16-15(11)20-13)17-12-6-10-3-5-18(8-10)9-12/h1-2,4,7,10,12H,3,5-6,8-9H2,(H,17,19)/t10-,12-/m1/s1.
What are the key properties of N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[2,3-b]pyridine-2-carboxamide?
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 66814630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).