4-[(2,4-dioxo-3,1-benzoxazin-1-yl)methyl]pyridine-2-carboxamide

C15H11N3O4 — CID 87500697

IUPAC4-[(2,4-dioxo-3,1-benzoxazin-1-yl)methyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(Cn2c(=O)oc(=O)c3ccccc32)ccn1
InChIInChI=1S/C15H11N3O4/c16-13(19)11-7-9(5-6-17-11)8-18-12-4-2-1-3-10(12)14(20)22-15(18)21/h1-7H,8H2,(H2,16,19)
InChIKeySFBLTFZULKGUMQ-UHFFFAOYSA-N
MW297.27 g/mol
LogP0.50
Rot. Bonds3

About 4-[(2,4-dioxo-3,1-benzoxazin-1-yl)methyl]pyridine-2-carboxamide

4-[(2,4-dioxo-3,1-benzoxazin-1-yl)methyl]pyridine-2-carboxamide (PubChem CID 87500697) has the molecular formula C15H11N3O4 and a molecular weight of 297.27 g/mol. Its IUPAC name is 4-[(2,4-dioxo-3,1-benzoxazin-1-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(2,4-dioxo-3,1-benzoxazin-1-yl)methyl]pyridine-2-carboxamide
PubChem CID87500697
Molecular FormulaC15H11N3O4
Molecular Weight297.27 g/mol
Exact Mass297.07
IUPAC Name4-[(2,4-dioxo-3,1-benzoxazin-1-yl)methyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(Cn2c(=O)oc(=O)c3ccccc32)ccn1
InChIInChI=1S/C15H11N3O4/c16-13(19)11-7-9(5-6-17-11)8-18-12-4-2-1-3-10(12)14(20)22-15(18)21/h1-7H,8H2,(H2,16,19)
InChIKeySFBLTFZULKGUMQ-UHFFFAOYSA-N
XLogP0.50
TPSA108.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dioxo-3,1-benzoxazin-1-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-[(2,4-dioxo-3,1-benzoxazin-1-yl)methyl]pyridine-2-carboxamide (CID 87500697) is 4-[(2,4-dioxo-3,1-benzoxazin-1-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(2,4-dioxo-3,1-benzoxazin-1-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[(2,4-dioxo-3,1-benzoxazin-1-yl)methyl]pyridine-2-carboxamide is NC(=O)c1cc(Cn2c(=O)oc(=O)c3ccccc32)ccn1.
What is the InChIKey of 4-[(2,4-dioxo-3,1-benzoxazin-1-yl)methyl]pyridine-2-carboxamide?
The InChIKey is SFBLTFZULKGUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4/c16-13(19)11-7-9(5-6-17-11)8-18-12-4-2-1-3-10(12)14(20)22-15(18)21/h1-7H,8H2,(H2,16,19).
What are the key properties of 4-[(2,4-dioxo-3,1-benzoxazin-1-yl)methyl]pyridine-2-carboxamide?
4-[(2,4-dioxo-3,1-benzoxazin-1-yl)methyl]pyridine-2-carboxamide has a molecular weight of 297.27 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dioxo-3,1-benzoxazin-1-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 87500697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).