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

C14H11N3O3 — CID 51153474

IUPACN-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
SMILESO=C1COc2ccc(NC(=O)c3ccccn3)cc2N1
InChIInChI=1S/C14H11N3O3/c18-13-8-20-12-5-4-9(7-11(12)17-13)16-14(19)10-3-1-2-6-15-10/h1-7H,8H2,(H,16,19)(H,17,18)
InChIKeyKMMCYVMEGYVKKK-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.66
Rot. Bonds2

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

N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide (PubChem CID 51153474) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
PubChem CID51153474
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC NameN-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
SMILESO=C1COc2ccc(NC(=O)c3ccccn3)cc2N1
InChIInChI=1S/C14H11N3O3/c18-13-8-20-12-5-4-9(7-11(12)17-13)16-14(19)10-3-1-2-6-15-10/h1-7H,8H2,(H,16,19)(H,17,18)
InChIKeyKMMCYVMEGYVKKK-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

N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyridine-2-carboxamide
CID 56587899
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide
CID 55133554
3-bromo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 107518741
5-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 35528644
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-pyrazole-5-carboxamide
CID 47177463
N'-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyridine-2-carbohydrazide
CID 16615764
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
CID 51153472
5-(furan-2-yl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,2-oxazole-3-carboxamide
CID 24666517
2-(aminomethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide
CID 66376900
4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)chromene-2-carboxamide
CID 31020420
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indazole-3-carboxamide
CID 24671603
3-hydroxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 145472125

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide (CID 51153474) is N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide is O=C1COc2ccc(NC(=O)c3ccccn3)cc2N1.
What is the InChIKey of N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide?
The InChIKey is KMMCYVMEGYVKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-13-8-20-12-5-4-9(7-11(12)17-13)16-14(19)10-3-1-2-6-15-10/h1-7H,8H2,(H,16,19)(H,17,18).
What are the key properties of N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide?
N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-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 N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide is sourced from PubChem (CID 51153474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).