N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-6-oxo-1H-pyridazine-3-carboxamide

C15H14N4O4 — CID 110793066

IUPACN-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCN1C(=O)CCOc2ccc(NC(=O)c3ccc(=O)[nH]n3)cc21
InChIInChI=1S/C15H14N4O4/c1-19-11-8-9(2-4-12(11)23-7-6-14(19)21)16-15(22)10-3-5-13(20)18-17-10/h2-5,8H,6-7H2,1H3,(H,16,22)(H,18,20)
InChIKeyMPAGWCLMAWQGFH-UHFFFAOYSA-N
MW314.30 g/mol
LogP0.77
Rot. Bonds2

About N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-6-oxo-1H-pyridazine-3-carboxamide

N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 110793066) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID110793066
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC NameN-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-6-oxo-1H-pyridazine-3-carboxamide
SMILESCN1C(=O)CCOc2ccc(NC(=O)c3ccc(=O)[nH]n3)cc21
InChIInChI=1S/C15H14N4O4/c1-19-11-8-9(2-4-12(11)23-7-6-14(19)21)16-15(22)10-3-5-13(20)18-17-10/h2-5,8H,6-7H2,1H3,(H,16,22)(H,18,20)
InChIKeyMPAGWCLMAWQGFH-UHFFFAOYSA-N
XLogP0.77
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-6-oxo-1H-pyridazine-3-carboxamide with MolForge

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Related Compounds

N-[(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110794390
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)pyridine-3-carboxamide
CID 110778376
1-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-3-phenylurea
CID 110774643
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)cyclopentanecarboxamide
CID 110778347
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-5-oxopyrrolidine-2-carboxamide
CID 110793064
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)cyclohexanecarboxamide
CID 110778343
6-oxo-N-(1,3,3-trimethyl-2-oxoindol-5-yl)-1H-pyridazine-3-carboxamide
CID 110742184
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-3-phenylpropanamide
CID 110778369
7-(2-methoxyethylamino)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82499150
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 46524350
6-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-pyridazine-3-carboxamide
CID 29365197
N-(4-chloro-3-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 114040849

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-6-oxo-1H-pyridazine-3-carboxamide (CID 110793066) is N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-6-oxo-1H-pyridazine-3-carboxamide is CN1C(=O)CCOc2ccc(NC(=O)c3ccc(=O)[nH]n3)cc21.
What is the InChIKey of N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is MPAGWCLMAWQGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c1-19-11-8-9(2-4-12(11)23-7-6-14(19)21)16-15(22)10-3-5-13(20)18-17-10/h2-5,8H,6-7H2,1H3,(H,16,22)(H,18,20).
What are the key properties of N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-6-oxo-1H-pyridazine-3-carboxamide?
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 314.30 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110793066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).