N-[6-(2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide

C16H20N4O2 — CID 113048089

IUPACN-[6-(2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
SMILESCOc1ccccc1Nc1ccc(NC(=O)C(C)(C)C)nn1
InChIInChI=1S/C16H20N4O2/c1-16(2,3)15(21)18-14-10-9-13(19-20-14)17-11-7-5-6-8-12(11)22-4/h5-10H,1-4H3,(H,17,19)(H,18,20,21)
InChIKeyPRBBIFFXISIBJY-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.21
Rot. Bonds4

About N-[6-(2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide

N-[6-(2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide (PubChem CID 113048089) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[6-(2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-(2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
PubChem CID113048089
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[6-(2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
SMILESCOc1ccccc1Nc1ccc(NC(=O)C(C)(C)C)nn1
InChIInChI=1S/C16H20N4O2/c1-16(2,3)15(21)18-14-10-9-13(19-20-14)17-11-7-5-6-8-12(11)22-4/h5-10H,1-4H3,(H,17,19)(H,18,20,21)
InChIKeyPRBBIFFXISIBJY-UHFFFAOYSA-N
XLogP3.21
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113047959
N-[6-(2-methoxyanilino)pyridazin-3-yl]pentanamide
CID 113048085
N-(4-tert-butylphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109128331
2-methoxy-N-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]benzamide
CID 113048928
N-(2,5-dimethoxyphenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109129150
6-(2-methoxyanilino)-N-(2-methoxy-5-methylphenyl)pyridazine-3-carboxamide
CID 109129147
N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113046202
6-(2-methoxyanilino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
CID 109128272
2-methoxy-N-[6-(2-propan-2-ylanilino)pyridazin-3-yl]benzamide
CID 113046921
tert-butyl N-[6-(2-methoxyanilino)-3-pyridinyl]carbamate
CID 113019334
N-(2,4-dichlorophenyl)-6-(2-methoxyanilino)pyridazine-3-carboxamide
CID 109129176
N-[6-(2,5-dichloroanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113050816

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-(2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide (CID 113048089) is N-[6-(2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-(2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-(2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide is COc1ccccc1Nc1ccc(NC(=O)C(C)(C)C)nn1.
What is the InChIKey of N-[6-(2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is PRBBIFFXISIBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-16(2,3)15(21)18-14-10-9-13(19-20-14)17-11-7-5-6-8-12(11)22-4/h5-10H,1-4H3,(H,17,19)(H,18,20,21).
What are the key properties of N-[6-(2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide?
N-[6-(2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 300.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 113048089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).