1-methylpyrido[2,3-d][1,3]oxazine-2,4-dione

C8H6N2O3 — CID 12511627

IUPAC1-methylpyrido[2,3-d][1,3]oxazine-2,4-dione
SMILESCn1c(=O)oc(=O)c2cccnc21
InChIInChI=1S/C8H6N2O3/c1-10-6-5(3-2-4-9-6)7(11)13-8(10)12/h2-4H,1H3
InChIKeyLZKPUOAYCKXVLR-UHFFFAOYSA-N
MW178.15 g/mol
LogP-0.11
Rot. Bonds

About 1-methylpyrido[2,3-d][1,3]oxazine-2,4-dione

1-methylpyrido[2,3-d][1,3]oxazine-2,4-dione (PubChem CID 12511627) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 1-methylpyrido[2,3-d][1,3]oxazine-2,4-dione.

Molecular Properties

Compound Name1-methylpyrido[2,3-d][1,3]oxazine-2,4-dione
PubChem CID12511627
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name1-methylpyrido[2,3-d][1,3]oxazine-2,4-dione
SMILESCn1c(=O)oc(=O)c2cccnc21
InChIInChI=1S/C8H6N2O3/c1-10-6-5(3-2-4-9-6)7(11)13-8(10)12/h2-4H,1H3
InChIKeyLZKPUOAYCKXVLR-UHFFFAOYSA-N
XLogP-0.11
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrido[2,3-d][1,3]oxazine-2,4-dione?
The IUPAC name of 1-methylpyrido[2,3-d][1,3]oxazine-2,4-dione (CID 12511627) is 1-methylpyrido[2,3-d][1,3]oxazine-2,4-dione.
What is the SMILES notation for 1-methylpyrido[2,3-d][1,3]oxazine-2,4-dione?
The canonical SMILES for 1-methylpyrido[2,3-d][1,3]oxazine-2,4-dione is Cn1c(=O)oc(=O)c2cccnc21.
What is the InChIKey of 1-methylpyrido[2,3-d][1,3]oxazine-2,4-dione?
The InChIKey is LZKPUOAYCKXVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c1-10-6-5(3-2-4-9-6)7(11)13-8(10)12/h2-4H,1H3.
What are the key properties of 1-methylpyrido[2,3-d][1,3]oxazine-2,4-dione?
1-methylpyrido[2,3-d][1,3]oxazine-2,4-dione has a molecular weight of 178.15 g/mol, XLogP of -0.11, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrido[2,3-d][1,3]oxazine-2,4-dione is sourced from PubChem (CID 12511627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).