(3R,5R)-N-(3-fluoro-2-pyridinyl)-7-[(6-methyl-2-pyridinyl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine

C19H23FN4O — CID 98777975

About (3R,5R)-N-(3-fluoro-2-pyridinyl)-7-[(6-methyl-2-pyridinyl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine

(3R,5R)-N-(3-fluoro-2-pyridinyl)-7-[(6-methyl-2-pyridinyl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine (PubChem CID 98777975) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is (3R,5R)-N-(3-fluoro-2-pyridinyl)-7-[(6-methyl-2-pyridinyl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine.

Molecular Properties

• Compound Name: (3R,5R)-N-(3-fluoro-2-pyridinyl)-7-[(6-methyl-2-pyridinyl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
• PubChem CID: 98777975
• Molecular Formula: C19H23FN4O
• Molecular Weight: 342.42 g/mol
• Exact Mass: 342.19
• IUPAC Name: (3R,5R)-N-(3-fluoro-2-pyridinyl)-7-[(6-methyl-2-pyridinyl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
• SMILES: Cc1cccc(CN2CC[C@@]3(C[C@@H](Nc4ncccc4F)CO3)C2)n1
• InChI: InChI=1S/C19H23FN4O/c1-14-4-2-5-15(22-14)11-24-9-7-19(13-24)10-16(12-25-19)23-18-17(20)6-3-8-21-18/h2-6,8,16H,7,9-13H2,1H3,(H,21,23)/t16-,19-/m1/s1
• InChIKey: FAJHCCKMABPPJX-VQIMIIECSA-N
• XLogP: 2.77
• TPSA: 50.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.42
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-N-(3-fluoro-2-pyridinyl)-7-[(6-methyl-2-pyridinyl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine?

The IUPAC name of (3R,5R)-N-(3-fluoro-2-pyridinyl)-7-[(6-methyl-2-pyridinyl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine (CID 98777975) is (3R,5R)-N-(3-fluoro-2-pyridinyl)-7-[(6-methyl-2-pyridinyl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine.

What is the SMILES notation for (3R,5R)-N-(3-fluoro-2-pyridinyl)-7-[(6-methyl-2-pyridinyl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine?

The canonical SMILES for (3R,5R)-N-(3-fluoro-2-pyridinyl)-7-[(6-methyl-2-pyridinyl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine is Cc1cccc(CN2CC[C@@]3(C[C@@H](Nc4ncccc4F)CO3)C2)n1.

What is the InChIKey of (3R,5R)-N-(3-fluoro-2-pyridinyl)-7-[(6-methyl-2-pyridinyl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine?

The InChIKey is FAJHCCKMABPPJX-VQIMIIECSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-14-4-2-5-15(22-14)11-24-9-7-19(13-24)10-16(12-25-19)23-18-17(20)6-3-8-21-18/h2-6,8,16H,7,9-13H2,1H3,(H,21,23)/t16-,19-/m1/s1.

What are the key properties of (3R,5R)-N-(3-fluoro-2-pyridinyl)-7-[(6-methyl-2-pyridinyl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine?

(3R,5R)-N-(3-fluoro-2-pyridinyl)-7-[(6-methyl-2-pyridinyl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine has a molecular weight of 342.42 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,5R)-N-(3-fluoro-2-pyridinyl)-7-[(6-methyl-2-pyridinyl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine is sourced from PubChem (CID 98777975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).