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

C24H26N4O2 — CID 6539899

IUPAC(E)-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)-N-[(1,2,7-trimethylindol-3-yl)methyl]prop-2-enamide
SMILESCc1cccc2c(CN(C)C(=O)/C=C/c3cnc4c(c3)CCC(=O)N4)c(C)n(C)c12
InChIInChI=1S/C24H26N4O2/c1-15-6-5-7-19-20(16(2)28(4)23(15)19)14-27(3)22(30)11-8-17-12-18-9-10-21(29)26-24(18)25-13-17/h5-8,11-13H,9-10,14H2,1-4H3,(H,25,26,29)/b11-8+
InChIKeyRBOIMOUDCYEGGN-DHZHZOJOSA-N
MW402.50 g/mol
LogP3.75
Rot. Bonds4

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

(E)-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)-N-[(1,2,7-trimethylindol-3-yl)methyl]prop-2-enamide (PubChem CID 6539899) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is (E)-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)-N-[(1,2,7-trimethylindol-3-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)-N-[(1,2,7-trimethylindol-3-yl)methyl]prop-2-enamide
PubChem CID6539899
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name(E)-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)-N-[(1,2,7-trimethylindol-3-yl)methyl]prop-2-enamide
SMILESCc1cccc2c(CN(C)C(=O)/C=C/c3cnc4c(c3)CCC(=O)N4)c(C)n(C)c12
InChIInChI=1S/C24H26N4O2/c1-15-6-5-7-19-20(16(2)28(4)23(15)19)14-27(3)22(30)11-8-17-12-18-9-10-21(29)26-24(18)25-13-17/h5-8,11-13H,9-10,14H2,1-4H3,(H,25,26,29)/b11-8+
InChIKeyRBOIMOUDCYEGGN-DHZHZOJOSA-N
XLogP3.75
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)-N-[(1,2,7-trimethylindol-3-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)-N-[(1,2,7-trimethylindol-3-yl)methyl]prop-2-enamide (CID 6539899) is (E)-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)-N-[(1,2,7-trimethylindol-3-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)-N-[(1,2,7-trimethylindol-3-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)-N-[(1,2,7-trimethylindol-3-yl)methyl]prop-2-enamide is Cc1cccc2c(CN(C)C(=O)/C=C/c3cnc4c(c3)CCC(=O)N4)c(C)n(C)c12.
What is the InChIKey of (E)-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)-N-[(1,2,7-trimethylindol-3-yl)methyl]prop-2-enamide?
The InChIKey is RBOIMOUDCYEGGN-DHZHZOJOSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-15-6-5-7-19-20(16(2)28(4)23(15)19)14-27(3)22(30)11-8-17-12-18-9-10-21(29)26-24(18)25-13-17/h5-8,11-13H,9-10,14H2,1-4H3,(H,25,26,29)/b11-8+.
What are the key properties of (E)-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)-N-[(1,2,7-trimethylindol-3-yl)methyl]prop-2-enamide?
(E)-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)-N-[(1,2,7-trimethylindol-3-yl)methyl]prop-2-enamide has a molecular weight of 402.50 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-3-yl)-N-[(1,2,7-trimethylindol-3-yl)methyl]prop-2-enamide is sourced from PubChem (CID 6539899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).