N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide

C17H22N4O — CID 113046202

IUPACN-[6-(2,4-dimethylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
SMILESCc1ccc(Nc2ccc(NC(=O)C(C)(C)C)nn2)c(C)c1
InChIInChI=1S/C17H22N4O/c1-11-6-7-13(12(2)10-11)18-14-8-9-15(21-20-14)19-16(22)17(3,4)5/h6-10H,1-5H3,(H,18,20)(H,19,21,22)
InChIKeyPIIOMZQEYOYEGH-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.82
Rot. Bonds3

About N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide

N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide (PubChem CID 113046202) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[6-(2,4-dimethylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
PubChem CID113046202
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[6-(2,4-dimethylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
SMILESCc1ccc(Nc2ccc(NC(=O)C(C)(C)C)nn2)c(C)c1
InChIInChI=1S/C17H22N4O/c1-11-6-7-13(12(2)10-11)18-14-8-9-15(21-20-14)19-16(22)17(3,4)5/h6-10H,1-5H3,(H,18,20)(H,19,21,22)
InChIKeyPIIOMZQEYOYEGH-UHFFFAOYSA-N
XLogP3.82
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2,5-dichloroanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113050816
N-[6-(2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113048089
N-[6-(4-bromo-2-methylanilino)pyridazin-3-yl]acetamide
CID 113050148
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113047959
N-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]acetamide
CID 113048531
tert-butyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate
CID 113016805
N-[6-(4-acetylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113049129
N-[6-(2,5-dimethylanilino)pyridazin-3-yl]butanamide
CID 113046269
N-(2-fluoro-4-methylphenyl)-2,2-dimethylpropanamide
CID 24898894
N-(2-iodo-4-methylphenyl)-2,2-dimethylpropanamide
CID 532037
N-[2-(dimethylamino)ethyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
CID 109115407
N-[6-(3-acetylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113049047

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide (CID 113046202) is N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide is Cc1ccc(Nc2ccc(NC(=O)C(C)(C)C)nn2)c(C)c1.
What is the InChIKey of N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is PIIOMZQEYOYEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-11-6-7-13(12(2)10-11)18-14-8-9-15(21-20-14)19-16(22)17(3,4)5/h6-10H,1-5H3,(H,18,20)(H,19,21,22).
What are the key properties of N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide?
N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 298.39 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,4-dimethylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 113046202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).