(3S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide

C19H22N4O3 — CID 97485708

About (3S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide

(3S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 97485708) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (3S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

• Compound Name: (3S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
• PubChem CID: 97485708
• Molecular Formula: C19H22N4O3
• Molecular Weight: 354.41 g/mol
• Exact Mass: 354.17
• IUPAC Name: (3S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
• SMILES: O=C(NCc1cccnc1)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1
• InChI: InChI=1S/C19H22N4O3/c24-18(22-11-15-3-1-6-20-10-15)23-8-5-19(14-23)9-17(13-25-19)26-16-4-2-7-21-12-16/h1-4,6-7,10,12,17H,5,8-9,11,13-14H2,(H,22,24)/t17-,19-/m0/s1
• InChIKey: QXHFKBRIYAIYCR-HKUYNNGSSA-N
• XLogP: 2.00
• TPSA: 76.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.41
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide?

The IUPAC name of (3S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 97485708) is (3S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

What is the SMILES notation for (3S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide?

The canonical SMILES for (3S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide is O=C(NCc1cccnc1)N1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1.

What is the InChIKey of (3S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide?

The InChIKey is QXHFKBRIYAIYCR-HKUYNNGSSA-N. The full InChI is InChI=1S/C19H22N4O3/c24-18(22-11-15-3-1-6-20-10-15)23-8-5-19(14-23)9-17(13-25-19)26-16-4-2-7-21-12-16/h1-4,6-7,10,12,17H,5,8-9,11,13-14H2,(H,22,24)/t17-,19-/m0/s1.

What are the key properties of (3S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide?

(3S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,5S)-N-(pyridin-3-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 97485708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).