2-ethyl-N-methyl-N-(6-phenylpyridazin-3-yl)butanamide

C17H21N3O — CID 71918595

IUPAC2-ethyl-N-methyl-N-(6-phenylpyridazin-3-yl)butanamide
SMILESCCC(CC)C(=O)N(C)c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C17H21N3O/c1-4-13(5-2)17(21)20(3)16-12-11-15(18-19-16)14-9-7-6-8-10-14/h6-13H,4-5H2,1-3H3
InChIKeyYHHDICIABFZRRG-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.54
Rot. Bonds5

About 2-ethyl-N-methyl-N-(6-phenylpyridazin-3-yl)butanamide

2-ethyl-N-methyl-N-(6-phenylpyridazin-3-yl)butanamide (PubChem CID 71918595) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-ethyl-N-methyl-N-(6-phenylpyridazin-3-yl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-methyl-N-(6-phenylpyridazin-3-yl)butanamide
PubChem CID71918595
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-ethyl-N-methyl-N-(6-phenylpyridazin-3-yl)butanamide
SMILESCCC(CC)C(=O)N(C)c1ccc(-c2ccccc2)nn1
InChIInChI=1S/C17H21N3O/c1-4-13(5-2)17(21)20(3)16-12-11-15(18-19-16)14-9-7-6-8-10-14/h6-13H,4-5H2,1-3H3
InChIKeyYHHDICIABFZRRG-UHFFFAOYSA-N
XLogP3.54
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methyl-N-(6-phenylpyridazin-3-yl)butanamide?
The IUPAC name of 2-ethyl-N-methyl-N-(6-phenylpyridazin-3-yl)butanamide (CID 71918595) is 2-ethyl-N-methyl-N-(6-phenylpyridazin-3-yl)butanamide.
What is the SMILES notation for 2-ethyl-N-methyl-N-(6-phenylpyridazin-3-yl)butanamide?
The canonical SMILES for 2-ethyl-N-methyl-N-(6-phenylpyridazin-3-yl)butanamide is CCC(CC)C(=O)N(C)c1ccc(-c2ccccc2)nn1.
What is the InChIKey of 2-ethyl-N-methyl-N-(6-phenylpyridazin-3-yl)butanamide?
The InChIKey is YHHDICIABFZRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-4-13(5-2)17(21)20(3)16-12-11-15(18-19-16)14-9-7-6-8-10-14/h6-13H,4-5H2,1-3H3.
What are the key properties of 2-ethyl-N-methyl-N-(6-phenylpyridazin-3-yl)butanamide?
2-ethyl-N-methyl-N-(6-phenylpyridazin-3-yl)butanamide has a molecular weight of 283.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methyl-N-(6-phenylpyridazin-3-yl)butanamide is sourced from PubChem (CID 71918595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).