N-(oxan-4-yl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

C16H19N3O3 — CID 71939366

IUPACN-(oxan-4-yl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(NC1CCOCC1)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C16H19N3O3/c20-15-7-6-14(16(21)17-12-8-10-22-11-9-12)18-19(15)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,17,21)
InChIKeyVMYWTVULULQAQK-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.46
Rot. Bonds3

About N-(oxan-4-yl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

N-(oxan-4-yl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 71939366) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(oxan-4-yl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID71939366
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-(oxan-4-yl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(NC1CCOCC1)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C16H19N3O3/c20-15-7-6-14(16(21)17-12-8-10-22-11-9-12)18-19(15)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,17,21)
InChIKeyVMYWTVULULQAQK-UHFFFAOYSA-N
XLogP1.46
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromophenyl)-N-cyclopentyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 3621209
1-(4-chlorophenyl)-N-cyclopentyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 941577
N-cyclooctyl-1-(4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 941051
1-(4-bromophenyl)-N-cyclooctyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 3537598
6-oxo-N-(oxolan-2-ylmethyl)-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 23474466
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 94867347
6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
CID 3469498
6-oxo-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 35222787
N-(1-acetylpiperidin-4-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 47010097
N-(2-morpholin-4-ylpropyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 51078106
N-[1-(4-bromophenyl)-2-oxopiperidin-3-yl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 146095742
N-hexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 18083745

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(oxan-4-yl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 71939366) is N-(oxan-4-yl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is O=C(NC1CCOCC1)C1=NN(c2ccccc2)C(=O)CC1.
What is the InChIKey of N-(oxan-4-yl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is VMYWTVULULQAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-15-7-6-14(16(21)17-12-8-10-22-11-9-12)18-19(15)13-4-2-1-3-5-13/h1-5,12H,6-11H2,(H,17,21).
What are the key properties of N-(oxan-4-yl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
N-(oxan-4-yl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 71939366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).