N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(azetidine-1-carbonyl)thieno[3,2-c]pyridine-6-carboxamide

C19H22N4O2S — CID 66814494

IUPACN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(azetidine-1-carbonyl)thieno[3,2-c]pyridine-6-carboxamide
SMILESO=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1cc2sc(C(=O)N3CCC3)cc2cn1
InChIInChI=1S/C19H22N4O2S/c24-18(21-14-6-12-2-5-22(10-12)11-14)15-8-16-13(9-20-15)7-17(26-16)19(25)23-3-1-4-23/h7-9,12,14H,1-6,10-11H2,(H,21,24)/t12-,14+/m0/s1
InChIKeyQAYYXHHTTOIHBM-GXTWGEPZSA-N
MW370.48 g/mol
LogP1.97
Rot. Bonds3

About N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(azetidine-1-carbonyl)thieno[3,2-c]pyridine-6-carboxamide

N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(azetidine-1-carbonyl)thieno[3,2-c]pyridine-6-carboxamide (PubChem CID 66814494) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(azetidine-1-carbonyl)thieno[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(azetidine-1-carbonyl)thieno[3,2-c]pyridine-6-carboxamide
PubChem CID66814494
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(azetidine-1-carbonyl)thieno[3,2-c]pyridine-6-carboxamide
SMILESO=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1cc2sc(C(=O)N3CCC3)cc2cn1
InChIInChI=1S/C19H22N4O2S/c24-18(21-14-6-12-2-5-22(10-12)11-14)15-8-16-13(9-20-15)7-17(26-16)19(25)23-3-1-4-23/h7-9,12,14H,1-6,10-11H2,(H,21,24)/t12-,14+/m0/s1
InChIKeyQAYYXHHTTOIHBM-GXTWGEPZSA-N
XLogP1.97
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(azetidine-1-carbonyl)thieno[3,2-c]pyridine-6-carboxamide?
The IUPAC name of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(azetidine-1-carbonyl)thieno[3,2-c]pyridine-6-carboxamide (CID 66814494) is N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(azetidine-1-carbonyl)thieno[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(azetidine-1-carbonyl)thieno[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(azetidine-1-carbonyl)thieno[3,2-c]pyridine-6-carboxamide is O=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1cc2sc(C(=O)N3CCC3)cc2cn1.
What is the InChIKey of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(azetidine-1-carbonyl)thieno[3,2-c]pyridine-6-carboxamide?
The InChIKey is QAYYXHHTTOIHBM-GXTWGEPZSA-N. The full InChI is InChI=1S/C19H22N4O2S/c24-18(21-14-6-12-2-5-22(10-12)11-14)15-8-16-13(9-20-15)7-17(26-16)19(25)23-3-1-4-23/h7-9,12,14H,1-6,10-11H2,(H,21,24)/t12-,14+/m0/s1.
What are the key properties of N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(azetidine-1-carbonyl)thieno[3,2-c]pyridine-6-carboxamide?
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(azetidine-1-carbonyl)thieno[3,2-c]pyridine-6-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-(azetidine-1-carbonyl)thieno[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 66814494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).