N-benzyl-6-(2,6-dichloroanilino)pyridazine-3-carboxamide

C18H14Cl2N4O — CID 109117975

IUPACN-benzyl-6-(2,6-dichloroanilino)pyridazine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(Nc2c(Cl)cccc2Cl)nn1
InChIInChI=1S/C18H14Cl2N4O/c19-13-7-4-8-14(20)17(13)22-16-10-9-15(23-24-16)18(25)21-11-12-5-2-1-3-6-12/h1-10H,11H2,(H,21,25)(H,22,24)
InChIKeyYKONPLMVVIAVRD-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.46
Rot. Bonds5

About N-benzyl-6-(2,6-dichloroanilino)pyridazine-3-carboxamide

N-benzyl-6-(2,6-dichloroanilino)pyridazine-3-carboxamide (PubChem CID 109117975) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is N-benzyl-6-(2,6-dichloroanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(2,6-dichloroanilino)pyridazine-3-carboxamide
PubChem CID109117975
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC NameN-benzyl-6-(2,6-dichloroanilino)pyridazine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(Nc2c(Cl)cccc2Cl)nn1
InChIInChI=1S/C18H14Cl2N4O/c19-13-7-4-8-14(20)17(13)22-16-10-9-15(23-24-16)18(25)21-11-12-5-2-1-3-6-12/h1-10H,11H2,(H,21,25)(H,22,24)
InChIKeyYKONPLMVVIAVRD-UHFFFAOYSA-N
XLogP4.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(benzylamino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide
CID 109117824
N-benzyl-6-(3-chloro-4-methylanilino)pyridazine-3-carboxamide
CID 109117925
6-(2,6-dichloroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114069
N-benzyl-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109117896
N-benzyl-6-(5-chloro-2-methylanilino)pyridazine-3-carboxamide
CID 109117923
N-[(4-chlorophenyl)methyl]-6-(2-phenylethylamino)pyridazine-3-carboxamide
CID 109119889
N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109119919
N-benzyl-6-(3-methoxyanilino)pyridazine-3-carboxamide
CID 109117932
N-cyclopropyl-6-(2,6-dichloroanilino)pyridazine-3-carboxamide
CID 109110170
6-(2-ethyl-6-methylanilino)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121427
6-(2,6-dichloroanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115771
6-(2-chloroanilino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118178

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(2,6-dichloroanilino)pyridazine-3-carboxamide?
The IUPAC name of N-benzyl-6-(2,6-dichloroanilino)pyridazine-3-carboxamide (CID 109117975) is N-benzyl-6-(2,6-dichloroanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(2,6-dichloroanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(2,6-dichloroanilino)pyridazine-3-carboxamide is O=C(NCc1ccccc1)c1ccc(Nc2c(Cl)cccc2Cl)nn1.
What is the InChIKey of N-benzyl-6-(2,6-dichloroanilino)pyridazine-3-carboxamide?
The InChIKey is YKONPLMVVIAVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c19-13-7-4-8-14(20)17(13)22-16-10-9-15(23-24-16)18(25)21-11-12-5-2-1-3-6-12/h1-10H,11H2,(H,21,25)(H,22,24).
What are the key properties of N-benzyl-6-(2,6-dichloroanilino)pyridazine-3-carboxamide?
N-benzyl-6-(2,6-dichloroanilino)pyridazine-3-carboxamide has a molecular weight of 373.24 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(2,6-dichloroanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109117975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).