6-[(E)-3-oxo-3-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C21H20N4O2 — CID 71261727

IUPAC6-[(E)-3-oxo-3-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2cc(/C=C/C(=O)N3CC=C(c4cccnc4)CC3)cnc2N1
InChIInChI=1S/C21H20N4O2/c26-19-5-4-17-12-15(13-23-21(17)24-19)3-6-20(27)25-10-7-16(8-11-25)18-2-1-9-22-14-18/h1-3,6-7,9,12-14H,4-5,8,10-11H2,(H,23,24,26)/b6-3+
InChIKeyWZMRYIFLRAJYDN-ZZXKWVIFSA-N
MW360.42 g/mol
LogP2.69
Rot. Bonds3

About 6-[(E)-3-oxo-3-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

6-[(E)-3-oxo-3-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 71261727) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 6-[(E)-3-oxo-3-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-[(E)-3-oxo-3-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID71261727
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name6-[(E)-3-oxo-3-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2cc(/C=C/C(=O)N3CC=C(c4cccnc4)CC3)cnc2N1
InChIInChI=1S/C21H20N4O2/c26-19-5-4-17-12-15(13-23-21(17)24-19)3-6-20(27)25-10-7-16(8-11-25)18-2-1-9-22-14-18/h1-3,6-7,9,12-14H,4-5,8,10-11H2,(H,23,24,26)/b6-3+
InChIKeyWZMRYIFLRAJYDN-ZZXKWVIFSA-N
XLogP2.69
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-[(E)-3-oxo-3-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-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 6-[(E)-3-oxo-3-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-[(E)-3-oxo-3-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 71261727) is 6-[(E)-3-oxo-3-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-[(E)-3-oxo-3-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-[(E)-3-oxo-3-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2cc(/C=C/C(=O)N3CC=C(c4cccnc4)CC3)cnc2N1.
What is the InChIKey of 6-[(E)-3-oxo-3-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is WZMRYIFLRAJYDN-ZZXKWVIFSA-N. The full InChI is InChI=1S/C21H20N4O2/c26-19-5-4-17-12-15(13-23-21(17)24-19)3-6-20(27)25-10-7-16(8-11-25)18-2-1-9-22-14-18/h1-3,6-7,9,12-14H,4-5,8,10-11H2,(H,23,24,26)/b6-3+.
What are the key properties of 6-[(E)-3-oxo-3-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
6-[(E)-3-oxo-3-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 360.42 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-oxo-3-(4-pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 71261727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).