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

C20H28N4OS — CID 90763954

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

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-[di(propan-2-yl)amino]thieno[2,3-c]pyridine-5-carboxamide (PubChem CID 90763954) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-[di(propan-2-yl)amino]thieno[2,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-[di(propan-2-yl)amino]thieno[2,3-c]pyridine-5-carboxamide
• PubChem CID: 90763954
• Molecular Formula: C20H28N4OS
• Molecular Weight: 372.54 g/mol
• Exact Mass: 372.20
• IUPAC Name: N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-[di(propan-2-yl)amino]thieno[2,3-c]pyridine-5-carboxamide
• SMILES: CC(C)N(c1csc2cnc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc12)C(C)C
• InChI: InChI=1S/C20H28N4OS/c1-11(2)24(12(3)4)18-10-26-19-9-21-17(8-14(18)19)20(25)23-16-7-13-5-6-15(16)22-13/h8-13,15-16,22H,5-7H2,1-4H3,(H,23,25)/t13-,15+,16-/m1/s1
• InChIKey: RHMUTTKEWNYWME-VNQPRFMTSA-N
• XLogP: 3.54
• TPSA: 57.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.54
LogP ≤ 5	3.54
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-[di(propan-2-yl)amino]thieno[2,3-c]pyridine-5-carboxamide?

The IUPAC name of N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-[di(propan-2-yl)amino]thieno[2,3-c]pyridine-5-carboxamide (CID 90763954) is N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-[di(propan-2-yl)amino]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-[di(propan-2-yl)amino]thieno[2,3-c]pyridine-5-carboxamide?

The canonical SMILES for N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-[di(propan-2-yl)amino]thieno[2,3-c]pyridine-5-carboxamide is CC(C)N(c1csc2cnc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc12)C(C)C.

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

The InChIKey is RHMUTTKEWNYWME-VNQPRFMTSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-11(2)24(12(3)4)18-10-26-19-9-21-17(8-14(18)19)20(25)23-16-7-13-5-6-15(16)22-13/h8-13,15-16,22H,5-7H2,1-4H3,(H,23,25)/t13-,15+,16-/m1/s1.

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

N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-[di(propan-2-yl)amino]thieno[2,3-c]pyridine-5-carboxamide has a molecular weight of 372.54 g/mol, XLogP of 3.54, 5 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-[di(propan-2-yl)amino]thieno[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 90763954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).