N-(oxolan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C17H19N3O3 — CID 5053348

IUPACN-(oxolan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)NCC1CCCO1
InChIInChI=1S/C17H19N3O3/c21-16(18-11-14-7-4-10-23-14)12-20-17(22)9-8-15(19-20)13-5-2-1-3-6-13/h1-3,5-6,8-9,14H,4,7,10-12H2,(H,18,21)
InChIKeyXFXHLULCNRGLNX-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.21
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-(oxolan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 5053348) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID5053348
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(oxolan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)NCC1CCCO1
InChIInChI=1S/C17H19N3O3/c21-16(18-11-14-7-4-10-23-14)12-20-17(22)9-8-15(19-20)13-5-2-1-3-6-13/h1-3,5-6,8-9,14H,4,7,10-12H2,(H,18,21)
InChIKeyXFXHLULCNRGLNX-UHFFFAOYSA-N
XLogP1.21
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 5053348) is N-(oxolan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is O=C(Cn1nc(-c2ccccc2)ccc1=O)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is XFXHLULCNRGLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-16(18-11-14-7-4-10-23-14)12-20-17(22)9-8-15(19-20)13-5-2-1-3-6-13/h1-3,5-6,8-9,14H,4,7,10-12H2,(H,18,21).
What are the key properties of N-(oxolan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-(oxolan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 313.36 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 5053348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).