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

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

(5R,6S)-N-[(4-methylphenyl)methyl]-4-oxo-3-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (PubChem CID 83277966) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is (5R,6S)-N-[(4-methylphenyl)methyl]-4-oxo-3-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

Molecular Properties

Compound Name	(5R,6S)-N-[(4-methylphenyl)methyl]-4-oxo-3-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
PubChem CID	83277966
Molecular Formula	C23H23N3O3
Molecular Weight	389.46 g/mol
Exact Mass	389.17
IUPAC Name	(5R,6S)-N-[(4-methylphenyl)methyl]-4-oxo-3-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide
SMILES	Cc1ccc(CNC(=O)[C@@H]2C3C=CC4(CN(Cc5cccnc5)C(=O)[C@H]24)O3)cc1
InChI	InChI=1S/C23H23N3O3/c1-15-4-6-16(7-5-15)12-25-21(27)19-18-8-9-23(29-18)14-26(22(28)20(19)23)13-17-3-2-10-24-11-17/h2-11,18-20H,12-14H2,1H3,(H,25,27)/t18?,19-,20+,23?/m1/s1
InChIKey	GAXWPAXSULRSAT-XLLHFJCQSA-N
XLogP	1.99
TPSA	71.53 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.46
LogP ≤ 5	1.99
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 (5R,6S)-N-[(4-methylphenyl)methyl]-4-oxo-3-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide?

The IUPAC name of (5R,6S)-N-[(4-methylphenyl)methyl]-4-oxo-3-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide (CID 83277966) is (5R,6S)-N-[(4-methylphenyl)methyl]-4-oxo-3-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide.

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

The canonical SMILES for (5R,6S)-N-[(4-methylphenyl)methyl]-4-oxo-3-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is Cc1ccc(CNC(=O)[C@@H]2C3C=CC4(CN(Cc5cccnc5)C(=O)[C@H]24)O3)cc1.

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

The InChIKey is GAXWPAXSULRSAT-XLLHFJCQSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-15-4-6-16(7-5-15)12-25-21(27)19-18-8-9-23(29-18)14-26(22(28)20(19)23)13-17-3-2-10-24-11-17/h2-11,18-20H,12-14H2,1H3,(H,25,27)/t18?,19-,20+,23?/m1/s1.

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

(5R,6S)-N-[(4-methylphenyl)methyl]-4-oxo-3-(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 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,6S)-N-[(4-methylphenyl)methyl]-4-oxo-3-(pyridin-3-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxamide is sourced from PubChem (CID 83277966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).