(4S,5S)-7-(pyridin-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one

C19H22N4O2 — CID 97483654

About (4S,5S)-7-(pyridin-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one

(4S,5S)-7-(pyridin-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97483654) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (4S,5S)-7-(pyridin-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: (4S,5S)-7-(pyridin-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 97483654
• Molecular Formula: C19H22N4O2
• Molecular Weight: 338.41 g/mol
• Exact Mass: 338.17
• IUPAC Name: (4S,5S)-7-(pyridin-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: O=C1NC[C@@H](COc2cccnc2)[C@]12CCN(Cc1cccnc1)C2
• InChI: InChI=1S/C19H22N4O2/c24-18-19(5-8-23(14-19)12-15-3-1-6-20-9-15)16(10-22-18)13-25-17-4-2-7-21-11-17/h1-4,6-7,9,11,16H,5,8,10,12-14H2,(H,22,24)/t16-,19+/m0/s1
• InChIKey: UTDOVSBZOUIQTP-QFBILLFUSA-N
• XLogP: 1.49
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.41
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-7-(pyridin-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The IUPAC name of (4S,5S)-7-(pyridin-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 97483654) is (4S,5S)-7-(pyridin-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one.

What is the SMILES notation for (4S,5S)-7-(pyridin-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The canonical SMILES for (4S,5S)-7-(pyridin-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one is O=C1NC[C@@H](COc2cccnc2)[C@]12CCN(Cc1cccnc1)C2.

What is the InChIKey of (4S,5S)-7-(pyridin-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The InChIKey is UTDOVSBZOUIQTP-QFBILLFUSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18-19(5-8-23(14-19)12-15-3-1-6-20-9-15)16(10-22-18)13-25-17-4-2-7-21-11-17/h1-4,6-7,9,11,16H,5,8,10,12-14H2,(H,22,24)/t16-,19+/m0/s1.

What are the key properties of (4S,5S)-7-(pyridin-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one?

(4S,5S)-7-(pyridin-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 338.41 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5S)-7-(pyridin-3-ylmethyl)-4-(pyridin-3-yloxymethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97483654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).