N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(azetidine-1-carbonyl)thieno[2,3-c]pyridine-5-carboxamide

C18H20N4O2S — CID 91577329

About N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(azetidine-1-carbonyl)thieno[2,3-c]pyridine-5-carboxamide

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(azetidine-1-carbonyl)thieno[2,3-c]pyridine-5-carboxamide (PubChem CID 91577329) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(azetidine-1-carbonyl)thieno[2,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(azetidine-1-carbonyl)thieno[2,3-c]pyridine-5-carboxamide
• PubChem CID: 91577329
• Molecular Formula: C18H20N4O2S
• Molecular Weight: 356.45 g/mol
• Exact Mass: 356.13
• IUPAC Name: N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(azetidine-1-carbonyl)thieno[2,3-c]pyridine-5-carboxamide
• SMILES: O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1cc2c(C(=O)N3CCC3)csc2cn1
• InChI: InChI=1S/C18H20N4O2S/c23-17(21-14-6-10-2-3-13(14)20-10)15-7-11-12(9-25-16(11)8-19-15)18(24)22-4-1-5-22/h7-10,13-14,20H,1-6H2,(H,21,23)/t10-,13+,14-/m1/s1
• InChIKey: WAXCLEQUXXUBCR-DDTOSNHZSA-N
• XLogP: 1.76
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.45
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(azetidine-1-carbonyl)thieno[2,3-c]pyridine-5-carboxamide?

The IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(azetidine-1-carbonyl)thieno[2,3-c]pyridine-5-carboxamide (CID 91577329) is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(azetidine-1-carbonyl)thieno[2,3-c]pyridine-5-carboxamide.

What is the SMILES notation for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(azetidine-1-carbonyl)thieno[2,3-c]pyridine-5-carboxamide?

The canonical SMILES for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(azetidine-1-carbonyl)thieno[2,3-c]pyridine-5-carboxamide is O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1cc2c(C(=O)N3CCC3)csc2cn1.

What is the InChIKey of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(azetidine-1-carbonyl)thieno[2,3-c]pyridine-5-carboxamide?

The InChIKey is WAXCLEQUXXUBCR-DDTOSNHZSA-N. The full InChI is InChI=1S/C18H20N4O2S/c23-17(21-14-6-10-2-3-13(14)20-10)15-7-11-12(9-25-16(11)8-19-15)18(24)22-4-1-5-22/h7-10,13-14,20H,1-6H2,(H,21,23)/t10-,13+,14-/m1/s1.

What are the key properties of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(azetidine-1-carbonyl)thieno[2,3-c]pyridine-5-carboxamide?

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(azetidine-1-carbonyl)thieno[2,3-c]pyridine-5-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-(azetidine-1-carbonyl)thieno[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 91577329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).