3-methyl-N-[[(1S,5S,6R,7R)-3-[(2-methyl-3-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-2-carboxamide

C22H27N3O3 — CID 154820693

About 3-methyl-N-[[(1S,5S,6R,7R)-3-[(2-methyl-3-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-2-carboxamide

3-methyl-N-[[(1S,5S,6R,7R)-3-[(2-methyl-3-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-2-carboxamide (PubChem CID 154820693) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-methyl-N-[[(1S,5S,6R,7R)-3-[(2-methyl-3-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 3-methyl-N-[[(1S,5S,6R,7R)-3-[(2-methyl-3-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-2-carboxamide
• PubChem CID: 154820693
• Molecular Formula: C22H27N3O3
• Molecular Weight: 381.48 g/mol
• Exact Mass: 381.21
• IUPAC Name: 3-methyl-N-[[(1S,5S,6R,7R)-3-[(2-methyl-3-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-2-carboxamide
• SMILES: Cc1ccoc1C(=O)NC[C@H]1[C@H]2CN(Cc3cccnc3C)C[C@]23CC[C@H]1O3
• InChI: InChI=1S/C22H27N3O3/c1-14-6-9-27-20(14)21(26)24-10-17-18-12-25(11-16-4-3-8-23-15(16)2)13-22(18)7-5-19(17)28-22/h3-4,6,8-9,17-19H,5,7,10-13H2,1-2H3,(H,24,26)/t17-,18+,19+,22+/m0/s1
• InChIKey: DFBIEVYDLPKVAL-JZJXAQOMSA-N
• XLogP: 2.70
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.48
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[(1S,5S,6R,7R)-3-[(2-methyl-3-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-2-carboxamide?

The IUPAC name of 3-methyl-N-[[(1S,5S,6R,7R)-3-[(2-methyl-3-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-2-carboxamide (CID 154820693) is 3-methyl-N-[[(1S,5S,6R,7R)-3-[(2-methyl-3-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-2-carboxamide.

What is the SMILES notation for 3-methyl-N-[[(1S,5S,6R,7R)-3-[(2-methyl-3-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-2-carboxamide?

The canonical SMILES for 3-methyl-N-[[(1S,5S,6R,7R)-3-[(2-methyl-3-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-2-carboxamide is Cc1ccoc1C(=O)NC[C@H]1[C@H]2CN(Cc3cccnc3C)C[C@]23CC[C@H]1O3.

What is the InChIKey of 3-methyl-N-[[(1S,5S,6R,7R)-3-[(2-methyl-3-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-2-carboxamide?

The InChIKey is DFBIEVYDLPKVAL-JZJXAQOMSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-14-6-9-27-20(14)21(26)24-10-17-18-12-25(11-16-4-3-8-23-15(16)2)13-22(18)7-5-19(17)28-22/h3-4,6,8-9,17-19H,5,7,10-13H2,1-2H3,(H,24,26)/t17-,18+,19+,22+/m0/s1.

What are the key properties of 3-methyl-N-[[(1S,5S,6R,7R)-3-[(2-methyl-3-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-2-carboxamide?

3-methyl-N-[[(1S,5S,6R,7R)-3-[(2-methyl-3-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[[(1S,5S,6R,7R)-3-[(2-methyl-3-pyridinyl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 154820693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).