3-bromo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide

C14H10BrN3O3 — CID 107518741

IUPAC3-bromo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
SMILESO=C1COc2ccc(NC(=O)c3ncccc3Br)cc2N1
InChIInChI=1S/C14H10BrN3O3/c15-9-2-1-5-16-13(9)14(20)17-8-3-4-11-10(6-8)18-12(19)7-21-11/h1-6H,7H2,(H,17,20)(H,18,19)
InChIKeyPSRMHIOHSZPPJN-UHFFFAOYSA-N
MW348.16 g/mol
LogP2.43
Rot. Bonds2

About 3-bromo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide

3-bromo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide (PubChem CID 107518741) has the molecular formula C14H10BrN3O3 and a molecular weight of 348.16 g/mol. Its IUPAC name is 3-bromo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
PubChem CID107518741
Molecular FormulaC14H10BrN3O3
Molecular Weight348.16 g/mol
Exact Mass346.99
IUPAC Name3-bromo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
SMILESO=C1COc2ccc(NC(=O)c3ncccc3Br)cc2N1
InChIInChI=1S/C14H10BrN3O3/c15-9-2-1-5-16-13(9)14(20)17-8-3-4-11-10(6-8)18-12(19)7-21-11/h1-6H,7H2,(H,17,20)(H,18,19)
InChIKeyPSRMHIOHSZPPJN-UHFFFAOYSA-N
XLogP2.43
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.16
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 51153474
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-pyrazole-5-carboxamide
CID 47177463
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indazole-3-carboxamide
CID 24671603
5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 35528644
3-bromo-N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 107517736
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide
CID 55133554
N-(2-bromophenyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 110763814
N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyridine-2-carboxamide
CID 56587899
3-hydroxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 145472125
3-(dimethylamino)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 51153492
3-oxo-N-pyridin-4-yl-4H-1,4-benzoxazine-6-carboxamide
CID 53023811
4-bromo-1-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyrrole-2-carboxamide
CID 60698465

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide?
The IUPAC name of 3-bromo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide (CID 107518741) is 3-bromo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-bromo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide is O=C1COc2ccc(NC(=O)c3ncccc3Br)cc2N1.
What is the InChIKey of 3-bromo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide?
The InChIKey is PSRMHIOHSZPPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O3/c15-9-2-1-5-16-13(9)14(20)17-8-3-4-11-10(6-8)18-12(19)7-21-11/h1-6H,7H2,(H,17,20)(H,18,19).
What are the key properties of 3-bromo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide?
3-bromo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide has a molecular weight of 348.16 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide is sourced from PubChem (CID 107518741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).