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

C18H19ClN4O — CID 23725488

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

2-azabicyclo[2.2.1]heptan-2-yl-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]methanone (PubChem CID 23725488) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptan-2-yl-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]methanone.

Molecular Properties

• Compound Name: 2-azabicyclo[2.2.1]heptan-2-yl-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]methanone
• PubChem CID: 23725488
• Molecular Formula: C18H19ClN4O
• Molecular Weight: 342.83 g/mol
• Exact Mass: 342.12
• IUPAC Name: 2-azabicyclo[2.2.1]heptan-2-yl-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]methanone
• SMILES: Cc1ccc(Nc2ncc(C(=O)N3CC4CCC3C4)cc2Cl)cn1
• InChI: InChI=1S/C18H19ClN4O/c1-11-2-4-14(9-20-11)22-17-16(19)7-13(8-21-17)18(24)23-10-12-3-5-15(23)6-12/h2,4,7-9,12,15H,3,5-6,10H2,1H3,(H,21,22)
• InChIKey: PUQAHZPHRXPSAW-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.83
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]methanone (CID 23725488) is 2-azabicyclo[2.2.1]heptan-2-yl-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]methanone.

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

The canonical SMILES for 2-azabicyclo[2.2.1]heptan-2-yl-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]methanone is Cc1ccc(Nc2ncc(C(=O)N3CC4CCC3C4)cc2Cl)cn1.

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

The InChIKey is PUQAHZPHRXPSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-11-2-4-14(9-20-11)22-17-16(19)7-13(8-21-17)18(24)23-10-12-3-5-15(23)6-12/h2,4,7-9,12,15H,3,5-6,10H2,1H3,(H,21,22).

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

2-azabicyclo[2.2.1]heptan-2-yl-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]methanone has a molecular weight of 342.83 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-azabicyclo[2.2.1]heptan-2-yl-[5-chloro-6-[(6-methyl-3-pyridinyl)amino]-3-pyridinyl]methanone is sourced from PubChem (CID 23725488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).