(5-methyl-3-pyridinyl)-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone

C19H21N3O3 — CID 97419880

About (5-methyl-3-pyridinyl)-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone

(5-methyl-3-pyridinyl)-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone (PubChem CID 97419880) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is (5-methyl-3-pyridinyl)-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone.

Molecular Properties

• Compound Name: (5-methyl-3-pyridinyl)-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
• PubChem CID: 97419880
• Molecular Formula: C19H21N3O3
• Molecular Weight: 339.40 g/mol
• Exact Mass: 339.16
• IUPAC Name: (5-methyl-3-pyridinyl)-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
• SMILES: Cc1cncc(C(=O)N2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)c1
• InChI: InChI=1S/C19H21N3O3/c1-14-8-15(11-20-10-14)18(23)22-7-5-19(13-22)9-16(12-24-19)25-17-4-2-3-6-21-17/h2-4,6,8,10-11,16H,5,7,9,12-13H2,1H3/t16-,19-/m0/s1
• InChIKey: DIBPLAKUZVXOOQ-LPHOPBHVSA-N
• XLogP: 2.24
• TPSA: 64.55 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.40
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-pyridinyl)-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?

The IUPAC name of (5-methyl-3-pyridinyl)-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone (CID 97419880) is (5-methyl-3-pyridinyl)-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone.

What is the SMILES notation for (5-methyl-3-pyridinyl)-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?

The canonical SMILES for (5-methyl-3-pyridinyl)-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone is Cc1cncc(C(=O)N2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)c1.

What is the InChIKey of (5-methyl-3-pyridinyl)-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?

The InChIKey is DIBPLAKUZVXOOQ-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-14-8-15(11-20-10-14)18(23)22-7-5-19(13-22)9-16(12-24-19)25-17-4-2-3-6-21-17/h2-4,6,8,10-11,16H,5,7,9,12-13H2,1H3/t16-,19-/m0/s1.

What are the key properties of (5-methyl-3-pyridinyl)-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone?

(5-methyl-3-pyridinyl)-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone has a molecular weight of 339.40 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methyl-3-pyridinyl)-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone is sourced from PubChem (CID 97419880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).