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

C15H13N3O3 — CID 110778271

IUPACN-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)pyridine-3-carboxamide
SMILESO=C1CCOc2ccc(NC(=O)c3cccnc3)cc2N1
InChIInChI=1S/C15H13N3O3/c19-14-5-7-21-13-4-3-11(8-12(13)18-14)17-15(20)10-2-1-6-16-9-10/h1-4,6,8-9H,5,7H2,(H,17,20)(H,18,19)
InChIKeyKSWGALYFGZRVLT-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.05
Rot. Bonds2

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

N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)pyridine-3-carboxamide (PubChem CID 110778271) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)pyridine-3-carboxamide
PubChem CID110778271
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC NameN-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)pyridine-3-carboxamide
SMILESO=C1CCOc2ccc(NC(=O)c3cccnc3)cc2N1
InChIInChI=1S/C15H13N3O3/c19-14-5-7-21-13-4-3-11(8-12(13)18-14)17-15(20)10-2-1-6-16-9-10/h1-4,6,8-9H,5,7H2,(H,17,20)(H,18,19)
InChIKeyKSWGALYFGZRVLT-UHFFFAOYSA-N
XLogP2.05
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)benzamide
CID 110778268
4-(dimethylamino)-N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)benzamide
CID 110793054
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide
CID 17424246
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)pyridine-3-carboxamide
CID 110778376
(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)urea
CID 82494236
N-(4-fluorophenyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-carboxamide
CID 110764030
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-3-(1H-pyrazol-5-yl)benzamide
CID 59802884
4-oxo-4-[(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)amino]butanoic acid
CID 98034722
1-benzyl-3-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)urea
CID 110774636
N-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-3-carboxamide
CID 571626
N-(2,3-dihydro-1H-indol-5-yl)pyridine-3-carboxamide
CID 63253121
3-hydroxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 145472125

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)pyridine-3-carboxamide (CID 110778271) is N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)pyridine-3-carboxamide is O=C1CCOc2ccc(NC(=O)c3cccnc3)cc2N1.
What is the InChIKey of N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)pyridine-3-carboxamide?
The InChIKey is KSWGALYFGZRVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-14-5-7-21-13-4-3-11(8-12(13)18-14)17-15(20)10-2-1-6-16-9-10/h1-4,6,8-9H,5,7H2,(H,17,20)(H,18,19).
What are the key properties of N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)pyridine-3-carboxamide?
N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)pyridine-3-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)pyridine-3-carboxamide is sourced from PubChem (CID 110778271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).