N-(2,5-dichlorophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide

C16H18Cl2N4O — CID 109125242

IUPACN-(2,5-dichlorophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
SMILESCC(C)CCNc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)nn1
InChIInChI=1S/C16H18Cl2N4O/c1-10(2)7-8-19-15-6-5-13(21-22-15)16(23)20-14-9-11(17)3-4-12(14)18/h3-6,9-10H,7-8H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyVLDLORCAAQZSQD-UHFFFAOYSA-N
MW353.25 g/mol
LogP4.49
Rot. Bonds6

About N-(2,5-dichlorophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide

N-(2,5-dichlorophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide (PubChem CID 109125242) has the molecular formula C16H18Cl2N4O and a molecular weight of 353.25 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
PubChem CID109125242
Molecular FormulaC16H18Cl2N4O
Molecular Weight353.25 g/mol
Exact Mass352.09
IUPAC NameN-(2,5-dichlorophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
SMILESCC(C)CCNc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)nn1
InChIInChI=1S/C16H18Cl2N4O/c1-10(2)7-8-19-15-6-5-13(21-22-15)16(23)20-14-9-11(17)3-4-12(14)18/h3-6,9-10H,7-8H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyVLDLORCAAQZSQD-UHFFFAOYSA-N
XLogP4.49
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125184
6-(butylamino)-N-(2,5-dichlorophenyl)pyridazine-3-carboxamide
CID 109110754
N-(2,5-dichlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114249
N-(2-chloro-4,6-dimethylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125187
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125237
N-(2-tert-butylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125175
6-(3-methylbutylamino)-N-phenylpyridazine-3-carboxamide
CID 109125155
6-(3-methylbutylamino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111229
N-(4-bromophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125190
N-(5-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109354221
N-(3,4-dimethoxyphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125202
N-(2,5-dichlorophenyl)-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109129367

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide (CID 109125242) is N-(2,5-dichlorophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide is CC(C)CCNc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)nn1.
What is the InChIKey of N-(2,5-dichlorophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide?
The InChIKey is VLDLORCAAQZSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O/c1-10(2)7-8-19-15-6-5-13(21-22-15)16(23)20-14-9-11(17)3-4-12(14)18/h3-6,9-10H,7-8H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-(2,5-dichlorophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide?
N-(2,5-dichlorophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide has a molecular weight of 353.25 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109125242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).