1-(6-chloro-1,5-naphthyridin-3-yl)-1,3-diazinane-2,4-dione

C12H9ClN4O2 — CID 177017318

IUPAC1-(6-chloro-1,5-naphthyridin-3-yl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cnc3ccc(Cl)nc3c2)C(=O)N1
InChIInChI=1S/C12H9ClN4O2/c13-10-2-1-8-9(15-10)5-7(6-14-8)17-4-3-11(18)16-12(17)19/h1-2,5-6H,3-4H2,(H,16,18,19)
InChIKeyHEIJRKQALRWYGV-UHFFFAOYSA-N
MW276.68 g/mol
LogP1.73
Rot. Bonds1

About 1-(6-chloro-1,5-naphthyridin-3-yl)-1,3-diazinane-2,4-dione

1-(6-chloro-1,5-naphthyridin-3-yl)-1,3-diazinane-2,4-dione (PubChem CID 177017318) has the molecular formula C12H9ClN4O2 and a molecular weight of 276.68 g/mol. Its IUPAC name is 1-(6-chloro-1,5-naphthyridin-3-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(6-chloro-1,5-naphthyridin-3-yl)-1,3-diazinane-2,4-dione
PubChem CID177017318
Molecular FormulaC12H9ClN4O2
Molecular Weight276.68 g/mol
Exact Mass276.04
IUPAC Name1-(6-chloro-1,5-naphthyridin-3-yl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cnc3ccc(Cl)nc3c2)C(=O)N1
InChIInChI=1S/C12H9ClN4O2/c13-10-2-1-8-9(15-10)5-7(6-14-8)17-4-3-11(18)16-12(17)19/h1-2,5-6H,3-4H2,(H,16,18,19)
InChIKeyHEIJRKQALRWYGV-UHFFFAOYSA-N
XLogP1.73
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1,5-naphthyridin-3-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(6-chloro-1,5-naphthyridin-3-yl)-1,3-diazinane-2,4-dione (CID 177017318) is 1-(6-chloro-1,5-naphthyridin-3-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(6-chloro-1,5-naphthyridin-3-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(6-chloro-1,5-naphthyridin-3-yl)-1,3-diazinane-2,4-dione is O=C1CCN(c2cnc3ccc(Cl)nc3c2)C(=O)N1.
What is the InChIKey of 1-(6-chloro-1,5-naphthyridin-3-yl)-1,3-diazinane-2,4-dione?
The InChIKey is HEIJRKQALRWYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O2/c13-10-2-1-8-9(15-10)5-7(6-14-8)17-4-3-11(18)16-12(17)19/h1-2,5-6H,3-4H2,(H,16,18,19).
What are the key properties of 1-(6-chloro-1,5-naphthyridin-3-yl)-1,3-diazinane-2,4-dione?
1-(6-chloro-1,5-naphthyridin-3-yl)-1,3-diazinane-2,4-dione has a molecular weight of 276.68 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1,5-naphthyridin-3-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 177017318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).