N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2-methylpropanamide

C16H20N4O2 — CID 113048454

IUPACN-[6-(4-ethoxyanilino)pyridazin-3-yl]-2-methylpropanamide
SMILESCCOc1ccc(Nc2ccc(NC(=O)C(C)C)nn2)cc1
InChIInChI=1S/C16H20N4O2/c1-4-22-13-7-5-12(6-8-13)17-14-9-10-15(20-19-14)18-16(21)11(2)3/h5-11H,4H2,1-3H3,(H,17,19)(H,18,20,21)
InChIKeyZYIKQJDLEDISJP-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.21
Rot. Bonds6

About N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2-methylpropanamide

N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2-methylpropanamide (PubChem CID 113048454) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[6-(4-ethoxyanilino)pyridazin-3-yl]-2-methylpropanamide
PubChem CID113048454
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[6-(4-ethoxyanilino)pyridazin-3-yl]-2-methylpropanamide
SMILESCCOc1ccc(Nc2ccc(NC(=O)C(C)C)nn2)cc1
InChIInChI=1S/C16H20N4O2/c1-4-22-13-7-5-12(6-8-13)17-14-9-10-15(20-19-14)18-16(21)11(2)3/h5-11H,4H2,1-3H3,(H,17,19)(H,18,20,21)
InChIKeyZYIKQJDLEDISJP-UHFFFAOYSA-N
XLogP3.21
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113048460
2-ethyl-N-[6-(4-methoxyanilino)pyridazin-3-yl]butanamide
CID 113048284
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129382
N-[6-(4-ethoxyanilino)pyridazin-3-yl]-3-methylbenzamide
CID 113048466
N-[6-(4-ethoxyanilino)-3-pyridinyl]acetamide
CID 113019659
6-(4-ethoxyanilino)-N-propylpyridazine-3-carboxamide
CID 109109333
N-[6-(4-ethoxyanilino)-3-pyridinyl]-3-methylbutanamide
CID 113019664
N-[6-(4-methoxyanilino)pyridazin-3-yl]propanamide
CID 113048275
N-[4-[(6-cyanopyridazin-3-yl)amino]phenyl]-2-methylpropanamide
CID 133415991
N-butyl-6-(4-ethoxyanilino)pyridazine-3-carboxamide
CID 109110899
N-[5-(4-ethoxyanilino)-2-pyridinyl]acetamide
CID 113034324
6-(4-ethoxyanilino)-N-(2-fluorophenyl)pyridazine-3-carboxamide
CID 109128416

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2-methylpropanamide?
The IUPAC name of N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2-methylpropanamide (CID 113048454) is N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2-methylpropanamide is CCOc1ccc(Nc2ccc(NC(=O)C(C)C)nn2)cc1.
What is the InChIKey of N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2-methylpropanamide?
The InChIKey is ZYIKQJDLEDISJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-4-22-13-7-5-12(6-8-13)17-14-9-10-15(20-19-14)18-16(21)11(2)3/h5-11H,4H2,1-3H3,(H,17,19)(H,18,20,21).
What are the key properties of N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2-methylpropanamide?
N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2-methylpropanamide has a molecular weight of 300.36 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-ethoxyanilino)pyridazin-3-yl]-2-methylpropanamide is sourced from PubChem (CID 113048454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).