N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide

C13H12N4O2 — CID 116786796

IUPACN-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
SMILESO=C(Nc1cccnn1)c1cccc2c1OCCN2
InChIInChI=1S/C13H12N4O2/c18-13(16-11-5-2-6-15-17-11)9-3-1-4-10-12(9)19-8-7-14-10/h1-6,14H,7-8H2,(H,16,17,18)
InChIKeyZUYQYFIZEPWWIU-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.53
Rot. Bonds2

About N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide

N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide (PubChem CID 116786796) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound NameN-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
PubChem CID116786796
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC NameN-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
SMILESO=C(Nc1cccnn1)c1cccc2c1OCCN2
InChIInChI=1S/C13H12N4O2/c18-13(16-11-5-2-6-15-17-11)9-3-1-4-10-12(9)19-8-7-14-10/h1-6,14H,7-8H2,(H,16,17,18)
InChIKeyZUYQYFIZEPWWIU-UHFFFAOYSA-N
XLogP1.53
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422477
4-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-7-(pyridazin-3-ylamino)-2,3-dihydro-1,4-benzoxazepin-5-one
CID 139467867
3-[(benzylamino)methyl]-3-methyl-N-(1-methylpyrazol-3-yl)-2,4-dihydro-1,4-benzoxazine-6-carboxamide
CID 134808896
4-(6-chloropyridazin-3-yl)-N-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 58600812
N-(5-fluoro-2-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 81856149
N-[1,4-dimethyl-3-(trifluoromethyl)pyrazol-5-yl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide
CID 91648324
N-(6-fluoro-2-pyridinyl)-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide
CID 116813259
N-(2-((5-morpholinopyridazin-3-yl)amino)ethyl)-2-(trifluoromethoxy)benzamide
CID 122321617
(6-Fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-[3-[(6-methylpyridazin-3-yl)amino]phenyl]methanone
CID 139013036
2-methoxy-N-(1-pyridazin-3-ylpiperidin-3-yl)benzamide
CID 71875372
2-butoxy-3-methyl-N-pyridazin-3-ylbenzamide
CID 54523025
4-(5-methyl-2-pyridinyl)-N-(6-oxo-1H-pyridin-3-yl)-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 71198105

Frequently Asked Questions

What is the IUPAC name of N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide?
The IUPAC name of N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide (CID 116786796) is N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide is O=C(Nc1cccnn1)c1cccc2c1OCCN2.
What is the InChIKey of N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide?
The InChIKey is ZUYQYFIZEPWWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c18-13(16-11-5-2-6-15-17-11)9-3-1-4-10-12(9)19-8-7-14-10/h1-6,14H,7-8H2,(H,16,17,18).
What are the key properties of N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide?
N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide has a molecular weight of 256.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridazin-3-yl-3,4-dihydro-2H-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 116786796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).