1-[(6-oxo-1H-pyridin-3-yl)methyl]-3,1-benzoxazine-2,4-dione

C14H10N2O4 — CID 58989914

IUPAC1-[(6-oxo-1H-pyridin-3-yl)methyl]-3,1-benzoxazine-2,4-dione
SMILESO=c1ccc(Cn2c(=O)oc(=O)c3ccccc32)c[nH]1
InChIInChI=1S/C14H10N2O4/c17-12-6-5-9(7-15-12)8-16-11-4-2-1-3-10(11)13(18)20-14(16)19/h1-7H,8H2,(H,15,17)
InChIKeyNRVLRQOIZUVQBG-UHFFFAOYSA-N
MW270.24 g/mol
LogP0.69
Rot. Bonds2

About 1-[(6-oxo-1H-pyridin-3-yl)methyl]-3,1-benzoxazine-2,4-dione

1-[(6-oxo-1H-pyridin-3-yl)methyl]-3,1-benzoxazine-2,4-dione (PubChem CID 58989914) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is 1-[(6-oxo-1H-pyridin-3-yl)methyl]-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name1-[(6-oxo-1H-pyridin-3-yl)methyl]-3,1-benzoxazine-2,4-dione
PubChem CID58989914
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name1-[(6-oxo-1H-pyridin-3-yl)methyl]-3,1-benzoxazine-2,4-dione
SMILESO=c1ccc(Cn2c(=O)oc(=O)c3ccccc32)c[nH]1
InChIInChI=1S/C14H10N2O4/c17-12-6-5-9(7-15-12)8-16-11-4-2-1-3-10(11)13(18)20-14(16)19/h1-7H,8H2,(H,15,17)
InChIKeyNRVLRQOIZUVQBG-UHFFFAOYSA-N
XLogP0.69
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-oxo-1H-pyridin-3-yl)methyl]-3,1-benzoxazine-2,4-dione?
The IUPAC name of 1-[(6-oxo-1H-pyridin-3-yl)methyl]-3,1-benzoxazine-2,4-dione (CID 58989914) is 1-[(6-oxo-1H-pyridin-3-yl)methyl]-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 1-[(6-oxo-1H-pyridin-3-yl)methyl]-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 1-[(6-oxo-1H-pyridin-3-yl)methyl]-3,1-benzoxazine-2,4-dione is O=c1ccc(Cn2c(=O)oc(=O)c3ccccc32)c[nH]1.
What is the InChIKey of 1-[(6-oxo-1H-pyridin-3-yl)methyl]-3,1-benzoxazine-2,4-dione?
The InChIKey is NRVLRQOIZUVQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c17-12-6-5-9(7-15-12)8-16-11-4-2-1-3-10(11)13(18)20-14(16)19/h1-7H,8H2,(H,15,17).
What are the key properties of 1-[(6-oxo-1H-pyridin-3-yl)methyl]-3,1-benzoxazine-2,4-dione?
1-[(6-oxo-1H-pyridin-3-yl)methyl]-3,1-benzoxazine-2,4-dione has a molecular weight of 270.24 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-oxo-1H-pyridin-3-yl)methyl]-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 58989914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).