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

C19H18N4O2 — CID 112526635

IUPAC1-[5-(7-aminoindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
SMILESCC(=O)N1CCc2c(cncc2C(=O)n2ccc3cccc(N)c32)C1
InChIInChI=1S/C19H18N4O2/c1-12(24)22-7-6-15-14(11-22)9-21-10-16(15)19(25)23-8-5-13-3-2-4-17(20)18(13)23/h2-5,8-10H,6-7,11,20H2,1H3
InChIKeyVHAYPSHZFYVVNG-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.21
Rot. Bonds1

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

1-[5-(7-aminoindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone (PubChem CID 112526635) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-[5-(7-aminoindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(7-aminoindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
PubChem CID112526635
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name1-[5-(7-aminoindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone
SMILESCC(=O)N1CCc2c(cncc2C(=O)n2ccc3cccc(N)c32)C1
InChIInChI=1S/C19H18N4O2/c1-12(24)22-7-6-15-14(11-22)9-21-10-16(15)19(25)23-8-5-13-3-2-4-17(20)18(13)23/h2-5,8-10H,6-7,11,20H2,1H3
InChIKeyVHAYPSHZFYVVNG-UHFFFAOYSA-N
XLogP2.21
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.21
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-(7-aminoindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
The IUPAC name of 1-[5-(7-aminoindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone (CID 112526635) is 1-[5-(7-aminoindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone.
What is the SMILES notation for 1-[5-(7-aminoindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
The canonical SMILES for 1-[5-(7-aminoindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone is CC(=O)N1CCc2c(cncc2C(=O)n2ccc3cccc(N)c32)C1.
What is the InChIKey of 1-[5-(7-aminoindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
The InChIKey is VHAYPSHZFYVVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-12(24)22-7-6-15-14(11-22)9-21-10-16(15)19(25)23-8-5-13-3-2-4-17(20)18(13)23/h2-5,8-10H,6-7,11,20H2,1H3.
What are the key properties of 1-[5-(7-aminoindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone?
1-[5-(7-aminoindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone has a molecular weight of 334.38 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(7-aminoindole-1-carbonyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]ethanone is sourced from PubChem (CID 112526635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).