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

C15H14N4O4 — CID 110794379

IUPAC6-oxo-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]-1H-pyridazine-3-carboxamide
SMILESO=C1CCOc2ccc(CNC(=O)c3ccc(=O)[nH]n3)cc2N1
InChIInChI=1S/C15H14N4O4/c20-13-5-6-23-12-3-1-9(7-11(12)17-13)8-16-15(22)10-2-4-14(21)19-18-10/h1-4,7H,5-6,8H2,(H,16,22)(H,17,20)(H,19,21)
InChIKeyQGGPDMPDLYIWCD-UHFFFAOYSA-N
MW314.30 g/mol
LogP0.42
Rot. Bonds3

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

6-oxo-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]-1H-pyridazine-3-carboxamide (PubChem CID 110794379) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is 6-oxo-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]-1H-pyridazine-3-carboxamide
PubChem CID110794379
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name6-oxo-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]-1H-pyridazine-3-carboxamide
SMILESO=C1CCOc2ccc(CNC(=O)c3ccc(=O)[nH]n3)cc2N1
InChIInChI=1S/C15H14N4O4/c20-13-5-6-23-12-3-1-9(7-11(12)17-13)8-16-15(22)10-2-4-14(21)19-18-10/h1-4,7H,5-6,8H2,(H,16,22)(H,17,20)(H,19,21)
InChIKeyQGGPDMPDLYIWCD-UHFFFAOYSA-N
XLogP0.42
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-oxo-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]-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-[(4-fluorophenyl)methyl]-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)acetamide
CID 110770729
N-benzyl-2-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)acetamide
CID 110770722
1-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]-3-propan-2-ylurea
CID 110775255
3,3-dimethyl-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]butanamide
CID 110783804
N-[(4-chlorophenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 110763970
N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]-2-thiophen-2-ylacetamide
CID 110783780
2-chloro-6-fluoro-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]benzamide
CID 110783795
N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]-3-phenylpropanamide
CID 110783785
2-(2-fluorophenoxy)-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]acetamide
CID 110783822
N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]propane-1-sulfonamide
CID 110783827
6-amino-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrimidine-4-carboxamide
CID 71123341

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]-1H-pyridazine-3-carboxamide (CID 110794379) is 6-oxo-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]-1H-pyridazine-3-carboxamide is O=C1CCOc2ccc(CNC(=O)c3ccc(=O)[nH]n3)cc2N1.
What is the InChIKey of 6-oxo-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]-1H-pyridazine-3-carboxamide?
The InChIKey is QGGPDMPDLYIWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c20-13-5-6-23-12-3-1-9(7-11(12)17-13)8-16-15(22)10-2-4-14(21)19-18-10/h1-4,7H,5-6,8H2,(H,16,22)(H,17,20)(H,19,21).
What are the key properties of 6-oxo-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]-1H-pyridazine-3-carboxamide?
6-oxo-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]-1H-pyridazine-3-carboxamide has a molecular weight of 314.30 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)methyl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110794379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).