ethane;6-[(3Z,5Z)-3-ethenylocta-3,5,7-trienyl]-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

C30H46N2O — CID 166129799

IUPACethane;6-[(3Z,5Z)-3-ethenylocta-3,5,7-trienyl]-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
SMILESC=C/C=C\C=C(/C=C)CCN1CCC2C(CCC(=O)N2C(/C=C\C=C)=C/C=C)C1.CC.CC
InChIInChI=1S/C26H34N2O.2C2H6/c1-5-9-11-13-22(8-4)17-19-27-20-18-25-23(21-27)15-16-26(29)28(25)24(12-7-3)14-10-6-2;2*1-2/h5-14,23,25H,1-4,15-21H2;2*1-2H3/b11-9-,14-10-,22-13+,24-12+;;
InChIKeyAANMFPZUZILDDP-ARWSTHMUSA-N
MW450.71 g/mol
LogP7.41
Rot. Bonds10

About ethane;6-[(3Z,5Z)-3-ethenylocta-3,5,7-trienyl]-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

ethane;6-[(3Z,5Z)-3-ethenylocta-3,5,7-trienyl]-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one (PubChem CID 166129799) has the molecular formula C30H46N2O and a molecular weight of 450.71 g/mol. Its IUPAC name is ethane;6-[(3Z,5Z)-3-ethenylocta-3,5,7-trienyl]-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Nameethane;6-[(3Z,5Z)-3-ethenylocta-3,5,7-trienyl]-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
PubChem CID166129799
Molecular FormulaC30H46N2O
Molecular Weight450.71 g/mol
Exact Mass450.36
IUPAC Nameethane;6-[(3Z,5Z)-3-ethenylocta-3,5,7-trienyl]-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
SMILESC=C/C=C\C=C(/C=C)CCN1CCC2C(CCC(=O)N2C(/C=C\C=C)=C/C=C)C1.CC.CC
InChIInChI=1S/C26H34N2O.2C2H6/c1-5-9-11-13-22(8-4)17-19-27-20-18-25-23(21-27)15-16-26(29)28(25)24(12-7-3)14-10-6-2;2*1-2/h5-14,23,25H,1-4,15-21H2;2*1-2H3/b11-9-,14-10-,22-13+,24-12+;;
InChIKeyAANMFPZUZILDDP-ARWSTHMUSA-N
XLogP7.41
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.71
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;6-[(3Z,5Z)-3-ethenylocta-3,5,7-trienyl]-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-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 ethane;6-[(3Z,5Z)-3-ethenylocta-3,5,7-trienyl]-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The IUPAC name of ethane;6-[(3Z,5Z)-3-ethenylocta-3,5,7-trienyl]-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one (CID 166129799) is ethane;6-[(3Z,5Z)-3-ethenylocta-3,5,7-trienyl]-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one.
What is the SMILES notation for ethane;6-[(3Z,5Z)-3-ethenylocta-3,5,7-trienyl]-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The canonical SMILES for ethane;6-[(3Z,5Z)-3-ethenylocta-3,5,7-trienyl]-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one is C=C/C=C\C=C(/C=C)CCN1CCC2C(CCC(=O)N2C(/C=C\C=C)=C/C=C)C1.CC.CC.
What is the InChIKey of ethane;6-[(3Z,5Z)-3-ethenylocta-3,5,7-trienyl]-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The InChIKey is AANMFPZUZILDDP-ARWSTHMUSA-N. The full InChI is InChI=1S/C26H34N2O.2C2H6/c1-5-9-11-13-22(8-4)17-19-27-20-18-25-23(21-27)15-16-26(29)28(25)24(12-7-3)14-10-6-2;2*1-2/h5-14,23,25H,1-4,15-21H2;2*1-2H3/b11-9-,14-10-,22-13+,24-12+;;.
What are the key properties of ethane;6-[(3Z,5Z)-3-ethenylocta-3,5,7-trienyl]-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
ethane;6-[(3Z,5Z)-3-ethenylocta-3,5,7-trienyl]-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one has a molecular weight of 450.71 g/mol, XLogP of 7.41, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-[(3Z,5Z)-3-ethenylocta-3,5,7-trienyl]-1-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one is sourced from PubChem (CID 166129799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).