6-methyl-N-pyridin-3-yl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide

C20H23N3O3S — CID 134076540

About 6-methyl-N-pyridin-3-yl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide

6-methyl-N-pyridin-3-yl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (PubChem CID 134076540) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 6-methyl-N-pyridin-3-yl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

• Compound Name: 6-methyl-N-pyridin-3-yl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
• PubChem CID: 134076540
• Molecular Formula: C20H23N3O3S
• Molecular Weight: 385.49 g/mol
• Exact Mass: 385.15
• IUPAC Name: 6-methyl-N-pyridin-3-yl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide
• SMILES: CC1CN(C(=O)c2cccs2)CCC12CCC(C(=O)Nc1cccnc1)O2
• InChI: InChI=1S/C20H23N3O3S/c1-14-13-23(19(25)17-5-3-11-27-17)10-8-20(14)7-6-16(26-20)18(24)22-15-4-2-9-21-12-15/h2-5,9,11-12,14,16H,6-8,10,13H2,1H3,(H,22,24)
• InChIKey: VLJUDSWTSNKKJM-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.49
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-pyridin-3-yl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?

The IUPAC name of 6-methyl-N-pyridin-3-yl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide (CID 134076540) is 6-methyl-N-pyridin-3-yl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide.

What is the SMILES notation for 6-methyl-N-pyridin-3-yl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?

The canonical SMILES for 6-methyl-N-pyridin-3-yl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is CC1CN(C(=O)c2cccs2)CCC12CCC(C(=O)Nc1cccnc1)O2.

What is the InChIKey of 6-methyl-N-pyridin-3-yl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?

The InChIKey is VLJUDSWTSNKKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-14-13-23(19(25)17-5-3-11-27-17)10-8-20(14)7-6-16(26-20)18(24)22-15-4-2-9-21-12-15/h2-5,9,11-12,14,16H,6-8,10,13H2,1H3,(H,22,24).

What are the key properties of 6-methyl-N-pyridin-3-yl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide?

6-methyl-N-pyridin-3-yl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-N-pyridin-3-yl-8-(thiophene-2-carbonyl)-1-oxa-8-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 134076540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).