(1R,5S,6R,7R)-4-oxo-3-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide

About (1R,5S,6R,7R)-4-oxo-3-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide

(1R,5S,6R,7R)-4-oxo-3-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (PubChem CID 98387843) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is (1R,5S,6R,7R)-4-oxo-3-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

Molecular Properties

Compound Name	(1R,5S,6R,7R)-4-oxo-3-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
PubChem CID	98387843
Molecular Formula	C23H23N3O3
Molecular Weight	389.46 g/mol
Exact Mass	389.17
IUPAC Name	(1R,5S,6R,7R)-4-oxo-3-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
SMILES	O=C(NCc1cccnc1)[C@H]1[C@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@@H]13)O2
InChI	InChI=1S/C23H23N3O3/c27-21(25-14-17-7-4-11-24-13-17)19-18-8-10-23(29-18)15-26(22(28)20(19)23)12-9-16-5-2-1-3-6-16/h1-8,10-11,13,18-20H,9,12,14-15H2,(H,25,27)/t18-,19+,20-,23+/m1/s1
InChIKey	HFYDUXVAVHZSHY-AWWSKVOZSA-N
XLogP	1.72
TPSA	71.53 Å²
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	389.46
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (1R,5S,6R,7R)-4-oxo-3-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The IUPAC name of (1R,5S,6R,7R)-4-oxo-3-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (CID 98387843) is (1R,5S,6R,7R)-4-oxo-3-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

What is the SMILES notation for (1R,5S,6R,7R)-4-oxo-3-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The canonical SMILES for (1R,5S,6R,7R)-4-oxo-3-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is O=C(NCc1cccnc1)[C@H]1[C@H]2C=C[C@@]3(CN(CCc4ccccc4)C(=O)[C@@H]13)O2.

What is the InChIKey of (1R,5S,6R,7R)-4-oxo-3-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The InChIKey is HFYDUXVAVHZSHY-AWWSKVOZSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-21(25-14-17-7-4-11-24-13-17)19-18-8-10-23(29-18)15-26(22(28)20(19)23)12-9-16-5-2-1-3-6-16/h1-8,10-11,13,18-20H,9,12,14-15H2,(H,25,27)/t18-,19+,20-,23+/m1/s1.

What are the key properties of (1R,5S,6R,7R)-4-oxo-3-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

(1R,5S,6R,7R)-4-oxo-3-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,5S,6R,7R)-4-oxo-3-(2-phenylethyl)-N-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is sourced from PubChem (CID 98387843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).