3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide

C14H11N3O3 — CID 53023811

IUPAC3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide
SMILESO=C1COc2ccc(C(=O)Nc3ccncc3)cc2N1
InChIInChI=1S/C14H11N3O3/c18-13-8-20-12-2-1-9(7-11(12)17-13)14(19)16-10-3-5-15-6-4-10/h1-7H,8H2,(H,17,18)(H,15,16,19)
InChIKeyCDZZNEWGABFGFO-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.66
Rot. Bonds2

About 3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide

3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide (PubChem CID 53023811) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide.

Molecular Properties

Compound Name3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide
PubChem CID53023811
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide
SMILESO=C1COc2ccc(C(=O)Nc3ccncc3)cc2N1
InChIInChI=1S/C14H11N3O3/c18-13-8-20-12-2-1-9(7-11(12)17-13)14(19)16-10-3-5-15-6-4-10/h1-7H,8H2,(H,17,18)(H,15,16,19)
InChIKeyCDZZNEWGABFGFO-UHFFFAOYSA-N
XLogP1.66
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
N-(4-acetamidophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 53023831
N-(4-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763806
N-[4-(furan-2-carbonylamino)phenyl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 55504919
3-hydroxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 145472125
N-(6-methoxy-3-pyridinyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 17455965
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(1H-pyrazol-5-yl)benzamide
CID 59802884
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-pyrazole-5-carboxamide
CID 47177463
N-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 110764030
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 17462651
N-(2-bromophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763814
N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 51153474

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide?
The IUPAC name of 3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide (CID 53023811) is 3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide.
What is the SMILES notation for 3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide?
The canonical SMILES for 3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide is O=C1COc2ccc(C(=O)Nc3ccncc3)cc2N1.
What is the InChIKey of 3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide?
The InChIKey is CDZZNEWGABFGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-13-8-20-12-2-1-9(7-11(12)17-13)14(19)16-10-3-5-15-6-4-10/h1-7H,8H2,(H,17,18)(H,15,16,19).
What are the key properties of 3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide?
3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide is sourced from PubChem (CID 53023811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).