6-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-pyridine-2-carboxamide

C14H11N3O4 — CID 59802793

IUPAC6-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-pyridine-2-carboxamide
SMILESO=C1COc2cc(NC(=O)c3cccc(=O)[nH]3)ccc2N1
InChIInChI=1S/C14H11N3O4/c18-12-3-1-2-10(17-12)14(20)15-8-4-5-9-11(6-8)21-7-13(19)16-9/h1-6H,7H2,(H,15,20)(H,16,19)(H,17,18)
InChIKeyBKORQAPCNGSRRH-UHFFFAOYSA-N
MW285.26 g/mol
LogP0.96
Rot. Bonds2

About 6-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-pyridine-2-carboxamide

6-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-pyridine-2-carboxamide (PubChem CID 59802793) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is 6-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-pyridine-2-carboxamide
PubChem CID59802793
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC Name6-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-pyridine-2-carboxamide
SMILESO=C1COc2cc(NC(=O)c3cccc(=O)[nH]3)ccc2N1
InChIInChI=1S/C14H11N3O4/c18-12-3-1-2-10(17-12)14(20)15-8-4-5-9-11(6-8)21-7-13(19)16-9/h1-6H,7H2,(H,15,20)(H,16,19)(H,17,18)
InChIKeyBKORQAPCNGSRRH-UHFFFAOYSA-N
XLogP0.96
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-indole-2-carboxamide
CID 59802843
N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyridine-2-carboxamide
CID 56587899
N-(3-oxo-4H-1,4-benzoxazin-7-yl)quinoline-8-carboxamide
CID 59802648
N-(3-oxo-4H-1,4-benzoxazin-7-yl)thiophene-3-carboxamide
CID 59802926
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-4-propan-2-yloxybenzamide
CID 110493154
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-pyrazole-5-carboxamide
CID 47177463
1-cyclopentyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)pyrrole-2-carboxamide
CID 75448652
N-naphthalen-2-yl-6-oxo-1H-pyridine-2-carboxamide
CID 107261405
N-(3-oxo-4H-1,4-benzoxazin-7-yl)piperidine-4-carboxamide;hydrochloride
CID 119279070
N-(3-methylsulfonylphenyl)-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 27335225
4-(methylamino)-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide
CID 119704209
4-amino-N-(3-oxo-4H-1,4-benzoxazin-7-yl)butanamide;hydrochloride
CID 119279086

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-pyridine-2-carboxamide?
The IUPAC name of 6-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-pyridine-2-carboxamide (CID 59802793) is 6-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-pyridine-2-carboxamide.
What is the SMILES notation for 6-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-pyridine-2-carboxamide?
The canonical SMILES for 6-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-pyridine-2-carboxamide is O=C1COc2cc(NC(=O)c3cccc(=O)[nH]3)ccc2N1.
What is the InChIKey of 6-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-pyridine-2-carboxamide?
The InChIKey is BKORQAPCNGSRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4/c18-12-3-1-2-10(17-12)14(20)15-8-4-5-9-11(6-8)21-7-13(19)16-9/h1-6H,7H2,(H,15,20)(H,16,19)(H,17,18).
What are the key properties of 6-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-pyridine-2-carboxamide?
6-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-pyridine-2-carboxamide has a molecular weight of 285.26 g/mol, XLogP of 0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)-1H-pyridine-2-carboxamide is sourced from PubChem (CID 59802793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).