N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-cyanopyrrolo[1,2-c]pyrimidine-3-carboxamide

C15H15N5O — CID 22565982

About N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-cyanopyrrolo[1,2-c]pyrimidine-3-carboxamide

N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-cyanopyrrolo[1,2-c]pyrimidine-3-carboxamide (PubChem CID 22565982) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-cyanopyrrolo[1,2-c]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-cyanopyrrolo[1,2-c]pyrimidine-3-carboxamide
• PubChem CID: 22565982
• Molecular Formula: C15H15N5O
• Molecular Weight: 281.32 g/mol
• Exact Mass: 281.13
• IUPAC Name: N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-cyanopyrrolo[1,2-c]pyrimidine-3-carboxamide
• SMILES: N#Cc1ccn2cnc(C(=O)NC3CC4CNC3C4)cc12
• InChI: InChI=1S/C15H15N5O/c16-6-10-1-2-20-8-18-13(5-14(10)20)15(21)19-12-4-9-3-11(12)17-7-9/h1-2,5,8-9,11-12,17H,3-4,7H2,(H,19,21)
• InChIKey: GBUGIGVFXIKKHB-UHFFFAOYSA-N
• XLogP: 0.69
• TPSA: 82.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	281.32
LogP ≤ 5	0.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-cyanopyrrolo[1,2-c]pyrimidine-3-carboxamide?

The IUPAC name of N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-cyanopyrrolo[1,2-c]pyrimidine-3-carboxamide (CID 22565982) is N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-cyanopyrrolo[1,2-c]pyrimidine-3-carboxamide.

What is the SMILES notation for N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-cyanopyrrolo[1,2-c]pyrimidine-3-carboxamide?

The canonical SMILES for N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-cyanopyrrolo[1,2-c]pyrimidine-3-carboxamide is N#Cc1ccn2cnc(C(=O)NC3CC4CNC3C4)cc12.

What is the InChIKey of N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-cyanopyrrolo[1,2-c]pyrimidine-3-carboxamide?

The InChIKey is GBUGIGVFXIKKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c16-6-10-1-2-20-8-18-13(5-14(10)20)15(21)19-12-4-9-3-11(12)17-7-9/h1-2,5,8-9,11-12,17H,3-4,7H2,(H,19,21).

What are the key properties of N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-cyanopyrrolo[1,2-c]pyrimidine-3-carboxamide?

N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-cyanopyrrolo[1,2-c]pyrimidine-3-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-cyanopyrrolo[1,2-c]pyrimidine-3-carboxamide is sourced from PubChem (CID 22565982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).