[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone

C21H23N7O — CID 126745398

About [6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone

[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone (PubChem CID 126745398) has the molecular formula C21H23N7O and a molecular weight of 389.46 g/mol. Its IUPAC name is [6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone.

Molecular Properties

• Compound Name: [6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
• PubChem CID: 126745398
• Molecular Formula: C21H23N7O
• Molecular Weight: 389.46 g/mol
• Exact Mass: 389.20
• IUPAC Name: [6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone
• SMILES: Cc1ccc(NC2CC3CC2N(C(=O)c2ccc(C)nc2-n2nccn2)C3)nc1
• InChI: InChI=1S/C21H23N7O/c1-13-3-6-19(22-11-13)26-17-9-15-10-18(17)27(12-15)21(29)16-5-4-14(2)25-20(16)28-23-7-8-24-28/h3-8,11,15,17-18H,9-10,12H2,1-2H3,(H,22,26)
• InChIKey: XGEBCEGDDRCSCZ-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.46
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone?

The IUPAC name of [6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone (CID 126745398) is [6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone.

What is the SMILES notation for [6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone?

The canonical SMILES for [6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone is Cc1ccc(NC2CC3CC2N(C(=O)c2ccc(C)nc2-n2nccn2)C3)nc1.

What is the InChIKey of [6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone?

The InChIKey is XGEBCEGDDRCSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O/c1-13-3-6-19(22-11-13)26-17-9-15-10-18(17)27(12-15)21(29)16-5-4-14(2)25-20(16)28-23-7-8-24-28/h3-8,11,15,17-18H,9-10,12H2,1-2H3,(H,22,26).

What are the key properties of [6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone?

[6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone has a molecular weight of 389.46 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[(5-methyl-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptan-2-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 126745398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).