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

C24H27N3O2 — CID 171150677

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

N-[[(1S,5S,6R,7R)-3-(3-phenylprop-2-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide (PubChem CID 171150677) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-(3-phenylprop-2-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[(1S,5S,6R,7R)-3-(3-phenylprop-2-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide
• PubChem CID: 171150677
• Molecular Formula: C24H27N3O2
• Molecular Weight: 389.50 g/mol
• Exact Mass: 389.21
• IUPAC Name: N-[[(1S,5S,6R,7R)-3-(3-phenylprop-2-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide
• SMILES: O=C(NC[C@H]1[C@H]2CN(CC=Cc3ccccc3)C[C@]23CC[C@H]1O3)c1cccnc1
• InChI: InChI=1S/C24H27N3O2/c28-23(19-9-4-12-25-14-19)26-15-20-21-16-27(17-24(21)11-10-22(20)29-24)13-5-8-18-6-2-1-3-7-18/h1-9,12,14,20-22H,10-11,13,15-17H2,(H,26,28)/t20-,21+,22+,24+/m0/s1
• InChIKey: CSHNKPGLKFWWJM-JVNMPXIPSA-N
• XLogP: 3.00
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.50
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[[(1S,5S,6R,7R)-3-(3-phenylprop-2-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide (CID 171150677) is N-[[(1S,5S,6R,7R)-3-(3-phenylprop-2-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide.

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

The canonical SMILES for N-[[(1S,5S,6R,7R)-3-(3-phenylprop-2-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide is O=C(NC[C@H]1[C@H]2CN(CC=Cc3ccccc3)C[C@]23CC[C@H]1O3)c1cccnc1.

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

The InChIKey is CSHNKPGLKFWWJM-JVNMPXIPSA-N. The full InChI is InChI=1S/C24H27N3O2/c28-23(19-9-4-12-25-14-19)26-15-20-21-16-27(17-24(21)11-10-22(20)29-24)13-5-8-18-6-2-1-3-7-18/h1-9,12,14,20-22H,10-11,13,15-17H2,(H,26,28)/t20-,21+,22+,24+/m0/s1.

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

N-[[(1S,5S,6R,7R)-3-(3-phenylprop-2-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(1S,5S,6R,7R)-3-(3-phenylprop-2-enyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 171150677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).