(5S)-7-[(4,5-dimethylfuran-2-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C21H26N4O3 — CID 97491661

About (5S)-7-[(4,5-dimethylfuran-2-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

(5S)-7-[(4,5-dimethylfuran-2-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 97491661) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is (5S)-7-[(4,5-dimethylfuran-2-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

• Compound Name: (5S)-7-[(4,5-dimethylfuran-2-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• PubChem CID: 97491661
• Molecular Formula: C21H26N4O3
• Molecular Weight: 382.46 g/mol
• Exact Mass: 382.20
• IUPAC Name: (5S)-7-[(4,5-dimethylfuran-2-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• SMILES: Cc1cc(CN2CC[C@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)oc1C
• InChI: InChI=1S/C21H26N4O3/c1-15-10-18(27-16(15)2)13-25-9-7-21(14-25)11-19(23-28-21)20(26)24(3)12-17-6-4-5-8-22-17/h4-6,8,10H,7,9,11-14H2,1-3H3/t21-/m0/s1
• InChIKey: OQQQHNHHYDXDQQ-NRFANRHFSA-N
• XLogP: 2.67
• TPSA: 71.17 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.46
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5S)-7-[(4,5-dimethylfuran-2-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The IUPAC name of (5S)-7-[(4,5-dimethylfuran-2-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 97491661) is (5S)-7-[(4,5-dimethylfuran-2-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

What is the SMILES notation for (5S)-7-[(4,5-dimethylfuran-2-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The canonical SMILES for (5S)-7-[(4,5-dimethylfuran-2-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is Cc1cc(CN2CC[C@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)oc1C.

What is the InChIKey of (5S)-7-[(4,5-dimethylfuran-2-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The InChIKey is OQQQHNHHYDXDQQ-NRFANRHFSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-15-10-18(27-16(15)2)13-25-9-7-21(14-25)11-19(23-28-21)20(26)24(3)12-17-6-4-5-8-22-17/h4-6,8,10H,7,9,11-14H2,1-3H3/t21-/m0/s1.

What are the key properties of (5S)-7-[(4,5-dimethylfuran-2-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

(5S)-7-[(4,5-dimethylfuran-2-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-7-[(4,5-dimethylfuran-2-yl)methyl]-N-methyl-N-(pyridin-2-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 97491661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).