(E)-3-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)-N-methylprop-2-enamide

C25H22N4O2 — CID 20790976

IUPAC(E)-3-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1cc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2nc1C
InChIInChI=1S/C25H22N4O2/c1-17-18(13-14-24(31)26-2)15-21-22(30)16-23(28-19-9-5-3-6-10-19)29(25(21)27-17)20-11-7-4-8-12-20/h3-16,28H,1-2H3,(H,26,31)/b14-13+
InChIKeyXIEUXFVKHIUWJX-BUHFOSPRSA-N
MW410.48 g/mol
LogP4.20
Rot. Bonds5

About (E)-3-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)-N-methylprop-2-enamide

(E)-3-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)-N-methylprop-2-enamide (PubChem CID 20790976) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is (E)-3-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)-N-methylprop-2-enamide
PubChem CID20790976
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC Name(E)-3-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)-N-methylprop-2-enamide
SMILESCNC(=O)/C=C/c1cc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2nc1C
InChIInChI=1S/C25H22N4O2/c1-17-18(13-14-24(31)26-2)15-21-22(30)16-23(28-19-9-5-3-6-10-19)29(25(21)27-17)20-11-7-4-8-12-20/h3-16,28H,1-2H3,(H,26,31)/b14-13+
InChIKeyXIEUXFVKHIUWJX-BUHFOSPRSA-N
XLogP4.20
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)-N-methylprop-2-enamide (CID 20790976) is (E)-3-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)-N-methylprop-2-enamide is CNC(=O)/C=C/c1cc2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2nc1C.
What is the InChIKey of (E)-3-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)-N-methylprop-2-enamide?
The InChIKey is XIEUXFVKHIUWJX-BUHFOSPRSA-N. The full InChI is InChI=1S/C25H22N4O2/c1-17-18(13-14-24(31)26-2)15-21-22(30)16-23(28-19-9-5-3-6-10-19)29(25(21)27-17)20-11-7-4-8-12-20/h3-16,28H,1-2H3,(H,26,31)/b14-13+.
What are the key properties of (E)-3-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)-N-methylprop-2-enamide?
(E)-3-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)-N-methylprop-2-enamide has a molecular weight of 410.48 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridin-3-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 20790976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).