1-[5-(4-amino-2-methylindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone

C20H20N4O2 — CID 112526485

IUPAC1-[5-(4-amino-2-methylindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
SMILESCC(=O)N1CCc2c(cncc2C(=O)n2c(C)cc3c(N)cccc32)C1
InChIInChI=1S/C20H20N4O2/c1-12-8-16-18(21)4-3-5-19(16)24(12)20(26)17-10-22-9-14-11-23(13(2)25)7-6-15(14)17/h3-5,8-10H,6-7,11,21H2,1-2H3
InChIKeyGPNMMERXCGDBAX-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.52
Rot. Bonds1

About 1-[5-(4-amino-2-methylindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone

1-[5-(4-amino-2-methylindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone (PubChem CID 112526485) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-[5-(4-amino-2-methylindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-amino-2-methylindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
PubChem CID112526485
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-[5-(4-amino-2-methylindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
SMILESCC(=O)N1CCc2c(cncc2C(=O)n2c(C)cc3c(N)cccc32)C1
InChIInChI=1S/C20H20N4O2/c1-12-8-16-18(21)4-3-5-19(16)24(12)20(26)17-10-22-9-14-11-23(13(2)25)7-6-15(14)17/h3-5,8-10H,6-7,11,21H2,1-2H3
InChIKeyGPNMMERXCGDBAX-UHFFFAOYSA-N
XLogP2.52
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-amino-2-methylindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
The IUPAC name of 1-[5-(4-amino-2-methylindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone (CID 112526485) is 1-[5-(4-amino-2-methylindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone.
What is the SMILES notation for 1-[5-(4-amino-2-methylindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
The canonical SMILES for 1-[5-(4-amino-2-methylindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone is CC(=O)N1CCc2c(cncc2C(=O)n2c(C)cc3c(N)cccc32)C1.
What is the InChIKey of 1-[5-(4-amino-2-methylindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
The InChIKey is GPNMMERXCGDBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-12-8-16-18(21)4-3-5-19(16)24(12)20(26)17-10-22-9-14-11-23(13(2)25)7-6-15(14)17/h3-5,8-10H,6-7,11,21H2,1-2H3.
What are the key properties of 1-[5-(4-amino-2-methylindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
1-[5-(4-amino-2-methylindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone has a molecular weight of 348.41 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-amino-2-methylindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone is sourced from PubChem (CID 112526485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).