(4aR,8aS)-1-(2-cyclohexylethyl)-6-[3-(4-methoxyphenyl)prop-2-enyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

C26H38N2O2 — CID 91940233

IUPAC(4aR,8aS)-1-(2-cyclohexylethyl)-6-[3-(4-methoxyphenyl)prop-2-enyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
SMILESCOc1ccc(C=CCN2CC[C@H]3[C@H](CCC(=O)N3CCC3CCCCC3)C2)cc1
InChIInChI=1S/C26H38N2O2/c1-30-24-12-9-22(10-13-24)8-5-17-27-18-16-25-23(20-27)11-14-26(29)28(25)19-15-21-6-3-2-4-7-21/h5,8-10,12-13,21,23,25H,2-4,6-7,11,14-20H2,1H3/t23-,25+/m1/s1
InChIKeyDINLKPJUOBJDNO-NOZRDPDXSA-N
MW410.60 g/mol
LogP4.99
Rot. Bonds7

About (4aR,8aS)-1-(2-cyclohexylethyl)-6-[3-(4-methoxyphenyl)prop-2-enyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

(4aR,8aS)-1-(2-cyclohexylethyl)-6-[3-(4-methoxyphenyl)prop-2-enyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one (PubChem CID 91940233) has the molecular formula C26H38N2O2 and a molecular weight of 410.60 g/mol. Its IUPAC name is (4aR,8aS)-1-(2-cyclohexylethyl)-6-[3-(4-methoxyphenyl)prop-2-enyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name(4aR,8aS)-1-(2-cyclohexylethyl)-6-[3-(4-methoxyphenyl)prop-2-enyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
PubChem CID91940233
Molecular FormulaC26H38N2O2
Molecular Weight410.60 g/mol
Exact Mass410.29
IUPAC Name(4aR,8aS)-1-(2-cyclohexylethyl)-6-[3-(4-methoxyphenyl)prop-2-enyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
SMILESCOc1ccc(C=CCN2CC[C@H]3[C@H](CCC(=O)N3CCC3CCCCC3)C2)cc1
InChIInChI=1S/C26H38N2O2/c1-30-24-12-9-22(10-13-24)8-5-17-27-18-16-25-23(20-27)11-14-26(29)28(25)19-15-21-6-3-2-4-7-21/h5,8-10,12-13,21,23,25H,2-4,6-7,11,14-20H2,1H3/t23-,25+/m1/s1
InChIKeyDINLKPJUOBJDNO-NOZRDPDXSA-N
XLogP4.99
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.60
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4aR,8aS)-1-(2-cyclohexylethyl)-6-[3-(4-methoxyphenyl)prop-2-enyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-1-(2-cyclohexylethyl)-6-[3-(4-methoxyphenyl)prop-2-enyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The IUPAC name of (4aR,8aS)-1-(2-cyclohexylethyl)-6-[3-(4-methoxyphenyl)prop-2-enyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one (CID 91940233) is (4aR,8aS)-1-(2-cyclohexylethyl)-6-[3-(4-methoxyphenyl)prop-2-enyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one.
What is the SMILES notation for (4aR,8aS)-1-(2-cyclohexylethyl)-6-[3-(4-methoxyphenyl)prop-2-enyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The canonical SMILES for (4aR,8aS)-1-(2-cyclohexylethyl)-6-[3-(4-methoxyphenyl)prop-2-enyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one is COc1ccc(C=CCN2CC[C@H]3[C@H](CCC(=O)N3CCC3CCCCC3)C2)cc1.
What is the InChIKey of (4aR,8aS)-1-(2-cyclohexylethyl)-6-[3-(4-methoxyphenyl)prop-2-enyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The InChIKey is DINLKPJUOBJDNO-NOZRDPDXSA-N. The full InChI is InChI=1S/C26H38N2O2/c1-30-24-12-9-22(10-13-24)8-5-17-27-18-16-25-23(20-27)11-14-26(29)28(25)19-15-21-6-3-2-4-7-21/h5,8-10,12-13,21,23,25H,2-4,6-7,11,14-20H2,1H3/t23-,25+/m1/s1.
What are the key properties of (4aR,8aS)-1-(2-cyclohexylethyl)-6-[3-(4-methoxyphenyl)prop-2-enyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
(4aR,8aS)-1-(2-cyclohexylethyl)-6-[3-(4-methoxyphenyl)prop-2-enyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one has a molecular weight of 410.60 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS)-1-(2-cyclohexylethyl)-6-[3-(4-methoxyphenyl)prop-2-enyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one is sourced from PubChem (CID 91940233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).