2-methyl-N-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

C26H34N4O2 — CID 126463872

About 2-methyl-N-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

2-methyl-N-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 126463872) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 2-methyl-N-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
• PubChem CID: 126463872
• Molecular Formula: C26H34N4O2
• Molecular Weight: 434.58 g/mol
• Exact Mass: 434.27
• IUPAC Name: 2-methyl-N-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
• SMILES: CN1Cc2ccccc2CC1C(=O)NCC1CCC2(CCN(Cc3ccccn3)CC2)O1
• InChI: InChI=1S/C26H34N4O2/c1-29-18-21-7-3-2-6-20(21)16-24(29)25(31)28-17-23-9-10-26(32-23)11-14-30(15-12-26)19-22-8-4-5-13-27-22/h2-8,13,23-24H,9-12,14-19H2,1H3,(H,28,31)
• InChIKey: IFXPZTPURJXKGZ-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.58
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?

The IUPAC name of 2-methyl-N-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 126463872) is 2-methyl-N-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide.

What is the SMILES notation for 2-methyl-N-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?

The canonical SMILES for 2-methyl-N-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide is CN1Cc2ccccc2CC1C(=O)NCC1CCC2(CCN(Cc3ccccn3)CC2)O1.

What is the InChIKey of 2-methyl-N-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?

The InChIKey is IFXPZTPURJXKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-29-18-21-7-3-2-6-20(21)16-24(29)25(31)28-17-23-9-10-26(32-23)11-14-30(15-12-26)19-22-8-4-5-13-27-22/h2-8,13,23-24H,9-12,14-19H2,1H3,(H,28,31).

What are the key properties of 2-methyl-N-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?

2-methyl-N-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 434.58 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[[8-(pyridin-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 126463872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).