N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

C19H23N3O3 — CID 109399985

IUPACN-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCN(CC1CCCC1O)C(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C19H23N3O3/c1-21(12-15-8-5-9-17(15)23)19(25)13-22-18(24)11-10-16(20-22)14-6-3-2-4-7-14/h2-4,6-7,10-11,15,17,23H,5,8-9,12-13H2,1H3
InChIKeyVAJNUYADCAOYLL-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.53
Rot. Bonds5

About N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide

N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 109399985) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID109399985
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCN(CC1CCCC1O)C(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C19H23N3O3/c1-21(12-15-8-5-9-17(15)23)19(25)13-22-18(24)11-10-16(20-22)14-6-3-2-4-7-14/h2-4,6-7,10-11,15,17,23H,5,8-9,12-13H2,1H3
InChIKeyVAJNUYADCAOYLL-UHFFFAOYSA-N
XLogP1.53
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 109399985) is N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is CN(CC1CCCC1O)C(=O)Cn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is VAJNUYADCAOYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-21(12-15-8-5-9-17(15)23)19(25)13-22-18(24)11-10-16(20-22)14-6-3-2-4-7-14/h2-4,6-7,10-11,15,17,23H,5,8-9,12-13H2,1H3.
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 341.41 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 109399985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).