4-amino-1-ethyl-3,6-dinitro-1,8-naphthyridin-2-one

C10H9N5O5 — CID 15153036

IUPAC4-amino-1-ethyl-3,6-dinitro-1,8-naphthyridin-2-one
SMILESCCn1c(=O)c([N+](=O)[O-])c(N)c2cc([N+](=O)[O-])cnc21
InChIInChI=1S/C10H9N5O5/c1-2-13-9-6(3-5(4-12-9)14(17)18)7(11)8(10(13)16)15(19)20/h3-4H,2,11H2,1H3
InChIKeyRNNGIHNVTYKWMD-UHFFFAOYSA-N
MW279.21 g/mol
LogP0.81
Rot. Bonds3

About 4-amino-1-ethyl-3,6-dinitro-1,8-naphthyridin-2-one

4-amino-1-ethyl-3,6-dinitro-1,8-naphthyridin-2-one (PubChem CID 15153036) has the molecular formula C10H9N5O5 and a molecular weight of 279.21 g/mol. Its IUPAC name is 4-amino-1-ethyl-3,6-dinitro-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-amino-1-ethyl-3,6-dinitro-1,8-naphthyridin-2-one
PubChem CID15153036
Molecular FormulaC10H9N5O5
Molecular Weight279.21 g/mol
Exact Mass279.06
IUPAC Name4-amino-1-ethyl-3,6-dinitro-1,8-naphthyridin-2-one
SMILESCCn1c(=O)c([N+](=O)[O-])c(N)c2cc([N+](=O)[O-])cnc21
InChIInChI=1S/C10H9N5O5/c1-2-13-9-6(3-5(4-12-9)14(17)18)7(11)8(10(13)16)15(19)20/h3-4H,2,11H2,1H3
InChIKeyRNNGIHNVTYKWMD-UHFFFAOYSA-N
XLogP0.81
TPSA147.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.21
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-hydroxy-6-nitro-1,8-naphthyridin-2-one
CID 170629377
3-ethyl-6-nitro-1H-imidazo[4,5-b]pyridin-2-one
CID 162519808
1-ethyl-2-morpholin-4-yl-6-nitro-4-oxo-1,8-naphthyridine-3-carboxamide
CID 86710739
2-methyl-5-nitropyrazolo[3,4-b]pyridin-3-amine
CID 171705544
1-ethyl-2-(4-fluorophenyl)-5-nitropyrrolo[2,3-b]pyridine
CID 67284498
1-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridin-3-one
CID 67989684
3-ethyl-6-nitro-1H-quinazoline-2,4-dione
CID 115587409
2-amino-N-ethyl-5-nitro-N-propylpyridine-3-carboxamide
CID 104585991
2-chloro-3-ethyl-5-nitropyridine
CID 86657225
3-ethyl-1-(methylsulfanylmethyl)-6-nitroquinazoline-2,4-dione
CID 118658724
3-amino-5-nitrothieno[2,3-b]pyridine-2-carboxamide
CID 6611040
3-ethyl-1-(2-methylpropyl)-6-(1-methylpyrazol-4-yl)-5-nitropyrimidine-2,4-dione
CID 87739191

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-3,6-dinitro-1,8-naphthyridin-2-one?
The IUPAC name of 4-amino-1-ethyl-3,6-dinitro-1,8-naphthyridin-2-one (CID 15153036) is 4-amino-1-ethyl-3,6-dinitro-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-amino-1-ethyl-3,6-dinitro-1,8-naphthyridin-2-one?
The canonical SMILES for 4-amino-1-ethyl-3,6-dinitro-1,8-naphthyridin-2-one is CCn1c(=O)c([N+](=O)[O-])c(N)c2cc([N+](=O)[O-])cnc21.
What is the InChIKey of 4-amino-1-ethyl-3,6-dinitro-1,8-naphthyridin-2-one?
The InChIKey is RNNGIHNVTYKWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O5/c1-2-13-9-6(3-5(4-12-9)14(17)18)7(11)8(10(13)16)15(19)20/h3-4H,2,11H2,1H3.
What are the key properties of 4-amino-1-ethyl-3,6-dinitro-1,8-naphthyridin-2-one?
4-amino-1-ethyl-3,6-dinitro-1,8-naphthyridin-2-one has a molecular weight of 279.21 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-3,6-dinitro-1,8-naphthyridin-2-one is sourced from PubChem (CID 15153036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).