(E)-N-[(1-benzylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide

C28H26N4O2 — CID 10343753

IUPAC(E)-N-[(1-benzylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
SMILESCN(Cc1cn(Cc2ccccc2)c2ccccc12)C(=O)/C=C/c1cnc2c(c1)CCC(=O)N2
InChIInChI=1S/C28H26N4O2/c1-31(27(34)14-11-21-15-22-12-13-26(33)30-28(22)29-16-21)18-23-19-32(17-20-7-3-2-4-8-20)25-10-6-5-9-24(23)25/h2-11,14-16,19H,12-13,17-18H2,1H3,(H,29,30,33)/b14-11+
InChIKeyVIYCLDYAFQLPDA-SDNWHVSQSA-N
MW450.54 g/mol
LogP4.64
Rot. Bonds6

About (E)-N-[(1-benzylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide

(E)-N-[(1-benzylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide (PubChem CID 10343753) has the molecular formula C28H26N4O2 and a molecular weight of 450.54 g/mol. Its IUPAC name is (E)-N-[(1-benzylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1-benzylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
PubChem CID10343753
Molecular FormulaC28H26N4O2
Molecular Weight450.54 g/mol
Exact Mass450.21
IUPAC Name(E)-N-[(1-benzylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide
SMILESCN(Cc1cn(Cc2ccccc2)c2ccccc12)C(=O)/C=C/c1cnc2c(c1)CCC(=O)N2
InChIInChI=1S/C28H26N4O2/c1-31(27(34)14-11-21-15-22-12-13-26(33)30-28(22)29-16-21)18-23-19-32(17-20-7-3-2-4-8-20)25-10-6-5-9-24(23)25/h2-11,14-16,19H,12-13,17-18H2,1H3,(H,29,30,33)/b14-11+
InChIKeyVIYCLDYAFQLPDA-SDNWHVSQSA-N
XLogP4.64
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-N-[(1-benzylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-[(1-benzylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide (CID 10343753) is (E)-N-[(1-benzylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(1-benzylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[(1-benzylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide is CN(Cc1cn(Cc2ccccc2)c2ccccc12)C(=O)/C=C/c1cnc2c(c1)CCC(=O)N2.
What is the InChIKey of (E)-N-[(1-benzylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide?
The InChIKey is VIYCLDYAFQLPDA-SDNWHVSQSA-N. The full InChI is InChI=1S/C28H26N4O2/c1-31(27(34)14-11-21-15-22-12-13-26(33)30-28(22)29-16-21)18-23-19-32(17-20-7-3-2-4-8-20)25-10-6-5-9-24(23)25/h2-11,14-16,19H,12-13,17-18H2,1H3,(H,29,30,33)/b14-11+.
What are the key properties of (E)-N-[(1-benzylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide?
(E)-N-[(1-benzylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide has a molecular weight of 450.54 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1-benzylindol-3-yl)methyl]-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)prop-2-enamide is sourced from PubChem (CID 10343753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).