N-butyl-6-(3,5-dichloroanilino)-N-methylpyridazine-3-carboxamide

C16H18Cl2N4O — CID 109125752

IUPACN-butyl-6-(3,5-dichloroanilino)-N-methylpyridazine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(Nc2cc(Cl)cc(Cl)c2)nn1
InChIInChI=1S/C16H18Cl2N4O/c1-3-4-7-22(2)16(23)14-5-6-15(21-20-14)19-13-9-11(17)8-12(18)10-13/h5-6,8-10H,3-4,7H2,1-2H3,(H,19,21)
InChIKeyVJKUUHZHMDISBP-UHFFFAOYSA-N
MW353.25 g/mol
LogP4.40
Rot. Bonds6

About N-butyl-6-(3,5-dichloroanilino)-N-methylpyridazine-3-carboxamide

N-butyl-6-(3,5-dichloroanilino)-N-methylpyridazine-3-carboxamide (PubChem CID 109125752) has the molecular formula C16H18Cl2N4O and a molecular weight of 353.25 g/mol. Its IUPAC name is N-butyl-6-(3,5-dichloroanilino)-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(3,5-dichloroanilino)-N-methylpyridazine-3-carboxamide
PubChem CID109125752
Molecular FormulaC16H18Cl2N4O
Molecular Weight353.25 g/mol
Exact Mass352.09
IUPAC NameN-butyl-6-(3,5-dichloroanilino)-N-methylpyridazine-3-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(Nc2cc(Cl)cc(Cl)c2)nn1
InChIInChI=1S/C16H18Cl2N4O/c1-3-4-7-22(2)16(23)14-5-6-15(21-20-14)19-13-9-11(17)8-12(18)10-13/h5-6,8-10H,3-4,7H2,1-2H3,(H,19,21)
InChIKeyVJKUUHZHMDISBP-UHFFFAOYSA-N
XLogP4.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-6-(3-chloro-4-fluoroanilino)-N-methylpyridazine-3-carboxamide
CID 109125702
N-butyl-6-(3-chloro-4-methylanilino)-N-methylpyridazine-3-carboxamide
CID 109125701
methyl 3-[[6-[butyl(methyl)carbamoyl]pyridazin-3-yl]amino]-4-chlorobenzoate
CID 109125728
N-butyl-N-methyl-6-(pentylamino)pyridazine-3-carboxamide
CID 109125364
N-butyl-N-methyl-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109125688
N-butyl-6-(2,5-dimethoxyanilino)-N-methylpyridazine-3-carboxamide
CID 109125715
N-butyl-6-(cyclohexylamino)-N-methylpyridazine-3-carboxamide
CID 109112879
6-(4-chloroanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124438
N-butyl-N-methyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120689
N-methyl-N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62169151
N,N-dibutyl-6-(ethylamino)pyridazine-3-carboxamide
CID 62167195
N-(3,5-dichlorophenyl)-6-(ethylamino)pyridazine-3-carboxamide
CID 62173126

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(3,5-dichloroanilino)-N-methylpyridazine-3-carboxamide?
The IUPAC name of N-butyl-6-(3,5-dichloroanilino)-N-methylpyridazine-3-carboxamide (CID 109125752) is N-butyl-6-(3,5-dichloroanilino)-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for N-butyl-6-(3,5-dichloroanilino)-N-methylpyridazine-3-carboxamide?
The canonical SMILES for N-butyl-6-(3,5-dichloroanilino)-N-methylpyridazine-3-carboxamide is CCCCN(C)C(=O)c1ccc(Nc2cc(Cl)cc(Cl)c2)nn1.
What is the InChIKey of N-butyl-6-(3,5-dichloroanilino)-N-methylpyridazine-3-carboxamide?
The InChIKey is VJKUUHZHMDISBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O/c1-3-4-7-22(2)16(23)14-5-6-15(21-20-14)19-13-9-11(17)8-12(18)10-13/h5-6,8-10H,3-4,7H2,1-2H3,(H,19,21).
What are the key properties of N-butyl-6-(3,5-dichloroanilino)-N-methylpyridazine-3-carboxamide?
N-butyl-6-(3,5-dichloroanilino)-N-methylpyridazine-3-carboxamide has a molecular weight of 353.25 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(3,5-dichloroanilino)-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 109125752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).