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

C19H23N3O2 — CID 3238833

IUPACN-(2-methylcyclohexyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCC1CCCCC1NC(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C19H23N3O2/c1-14-7-5-6-10-16(14)20-18(23)13-22-19(24)12-11-17(21-22)15-8-3-2-4-9-15/h2-4,8-9,11-12,14,16H,5-7,10,13H2,1H3,(H,20,23)
InChIKeyHMVUCKFIYPOXAK-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.61
Rot. Bonds4

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

N-(2-methylcyclohexyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (PubChem CID 3238833) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
PubChem CID3238833
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-(2-methylcyclohexyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
SMILESCC1CCCCC1NC(=O)Cn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C19H23N3O2/c1-14-7-5-6-10-16(14)20-18(23)13-22-19(24)12-11-17(21-22)15-8-3-2-4-9-15/h2-4,8-9,11-12,14,16H,5-7,10,13H2,1H3,(H,20,23)
InChIKeyHMVUCKFIYPOXAK-UHFFFAOYSA-N
XLogP2.61
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide (CID 3238833) is N-(2-methylcyclohexyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is CC1CCCCC1NC(=O)Cn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of N-(2-methylcyclohexyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
The InChIKey is HMVUCKFIYPOXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14-7-5-6-10-16(14)20-18(23)13-22-19(24)12-11-17(21-22)15-8-3-2-4-9-15/h2-4,8-9,11-12,14,16H,5-7,10,13H2,1H3,(H,20,23).
What are the key properties of N-(2-methylcyclohexyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide?
N-(2-methylcyclohexyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide has a molecular weight of 325.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide is sourced from PubChem (CID 3238833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).