2,2-dimethyl-N-(3-phenylpyridazin-4-yl)propanamide

C15H17N3O — CID 70535725

IUPAC2,2-dimethyl-N-(3-phenylpyridazin-4-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1ccnnc1-c1ccccc1
InChIInChI=1S/C15H17N3O/c1-15(2,3)14(19)17-12-9-10-16-18-13(12)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,16,17,19)
InChIKeyXQPJDOBPMIXGKI-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.13
Rot. Bonds2

About 2,2-dimethyl-N-(3-phenylpyridazin-4-yl)propanamide

2,2-dimethyl-N-(3-phenylpyridazin-4-yl)propanamide (PubChem CID 70535725) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-(3-phenylpyridazin-4-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(3-phenylpyridazin-4-yl)propanamide
PubChem CID70535725
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2,2-dimethyl-N-(3-phenylpyridazin-4-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1ccnnc1-c1ccccc1
InChIInChI=1S/C15H17N3O/c1-15(2,3)14(19)17-12-9-10-16-18-13(12)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,16,17,19)
InChIKeyXQPJDOBPMIXGKI-UHFFFAOYSA-N
XLogP3.13
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(3-phenylpyridazin-4-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(3-phenylpyridazin-4-yl)propanamide (CID 70535725) is 2,2-dimethyl-N-(3-phenylpyridazin-4-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(3-phenylpyridazin-4-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(3-phenylpyridazin-4-yl)propanamide is CC(C)(C)C(=O)Nc1ccnnc1-c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-(3-phenylpyridazin-4-yl)propanamide?
The InChIKey is XQPJDOBPMIXGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-15(2,3)14(19)17-12-9-10-16-18-13(12)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,16,17,19).
What are the key properties of 2,2-dimethyl-N-(3-phenylpyridazin-4-yl)propanamide?
2,2-dimethyl-N-(3-phenylpyridazin-4-yl)propanamide has a molecular weight of 255.32 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(3-phenylpyridazin-4-yl)propanamide is sourced from PubChem (CID 70535725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).