(5R)-N-(2-methyl-3-pyridinyl)-7-[(5-methylthiophen-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

C19H22N4O2S — CID 97491818

About (5R)-N-(2-methyl-3-pyridinyl)-7-[(5-methylthiophen-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide

(5R)-N-(2-methyl-3-pyridinyl)-7-[(5-methylthiophen-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (PubChem CID 97491818) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is (5R)-N-(2-methyl-3-pyridinyl)-7-[(5-methylthiophen-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

Molecular Properties

• Compound Name: (5R)-N-(2-methyl-3-pyridinyl)-7-[(5-methylthiophen-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• PubChem CID: 97491818
• Molecular Formula: C19H22N4O2S
• Molecular Weight: 370.48 g/mol
• Exact Mass: 370.15
• IUPAC Name: (5R)-N-(2-methyl-3-pyridinyl)-7-[(5-methylthiophen-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
• SMILES: Cc1ccc(CN2CC[C@@]3(CC(C(=O)Nc4cccnc4C)=NO3)C2)s1
• InChI: InChI=1S/C19H22N4O2S/c1-13-5-6-15(26-13)11-23-9-7-19(12-23)10-17(22-25-19)18(24)21-16-4-3-8-20-14(16)2/h3-6,8H,7,9-12H2,1-2H3,(H,21,24)/t19-/m1/s1
• InChIKey: GQSATYKJMWYLGA-LJQANCHMSA-N
• XLogP: 3.12
• TPSA: 66.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.48
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5R)-N-(2-methyl-3-pyridinyl)-7-[(5-methylthiophen-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The IUPAC name of (5R)-N-(2-methyl-3-pyridinyl)-7-[(5-methylthiophen-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide (CID 97491818) is (5R)-N-(2-methyl-3-pyridinyl)-7-[(5-methylthiophen-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide.

What is the SMILES notation for (5R)-N-(2-methyl-3-pyridinyl)-7-[(5-methylthiophen-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The canonical SMILES for (5R)-N-(2-methyl-3-pyridinyl)-7-[(5-methylthiophen-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is Cc1ccc(CN2CC[C@@]3(CC(C(=O)Nc4cccnc4C)=NO3)C2)s1.

What is the InChIKey of (5R)-N-(2-methyl-3-pyridinyl)-7-[(5-methylthiophen-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

The InChIKey is GQSATYKJMWYLGA-LJQANCHMSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-13-5-6-15(26-13)11-23-9-7-19(12-23)10-17(22-25-19)18(24)21-16-4-3-8-20-14(16)2/h3-6,8H,7,9-12H2,1-2H3,(H,21,24)/t19-/m1/s1.

What are the key properties of (5R)-N-(2-methyl-3-pyridinyl)-7-[(5-methylthiophen-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide?

(5R)-N-(2-methyl-3-pyridinyl)-7-[(5-methylthiophen-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-N-(2-methyl-3-pyridinyl)-7-[(5-methylthiophen-2-yl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide is sourced from PubChem (CID 97491818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).