(5S)-7-(cyclobutylmethyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C18H24N4O2 — CID 97396199

About (5S)-7-(cyclobutylmethyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

(5S)-7-(cyclobutylmethyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 97396199) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (5S)-7-(cyclobutylmethyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

• Compound Name: (5S)-7-(cyclobutylmethyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• PubChem CID: 97396199
• Molecular Formula: C18H24N4O2
• Molecular Weight: 328.42 g/mol
• Exact Mass: 328.19
• IUPAC Name: (5S)-7-(cyclobutylmethyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• SMILES: O=C(NCc1cccnc1)C1=NO[C@@]2(CCN(CC3CCC3)C2)C1
• InChI: InChI=1S/C18H24N4O2/c23-17(20-11-15-5-2-7-19-10-15)16-9-18(24-21-16)6-8-22(13-18)12-14-3-1-4-14/h2,5,7,10,14H,1,3-4,6,8-9,11-13H2,(H,20,23)/t18-/m0/s1
• InChIKey: DDFZJAKPXHWVNY-SFHVURJKSA-N
• XLogP: 1.72
• TPSA: 66.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.42
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5S)-7-(cyclobutylmethyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The IUPAC name of (5S)-7-(cyclobutylmethyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 97396199) is (5S)-7-(cyclobutylmethyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

What is the SMILES notation for (5S)-7-(cyclobutylmethyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The canonical SMILES for (5S)-7-(cyclobutylmethyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is O=C(NCc1cccnc1)C1=NO[C@@]2(CCN(CC3CCC3)C2)C1.

What is the InChIKey of (5S)-7-(cyclobutylmethyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The InChIKey is DDFZJAKPXHWVNY-SFHVURJKSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-17(20-11-15-5-2-7-19-10-15)16-9-18(24-21-16)6-8-22(13-18)12-14-3-1-4-14/h2,5,7,10,14H,1,3-4,6,8-9,11-13H2,(H,20,23)/t18-/m0/s1.

What are the key properties of (5S)-7-(cyclobutylmethyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

(5S)-7-(cyclobutylmethyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-7-(cyclobutylmethyl)-N-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 97396199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).