6-(benzylamino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide

C18H14Cl2N4O — CID 109117824

IUPAC6-(benzylamino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1ccc(NCc2ccccc2)nn1
InChIInChI=1S/C18H14Cl2N4O/c19-13-7-4-8-14(20)17(13)22-18(25)15-9-10-16(24-23-15)21-11-12-5-2-1-3-6-12/h1-10H,11H2,(H,21,24)(H,22,25)
InChIKeyNYQWOKRDKCPKOX-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.65
Rot. Bonds5

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

6-(benzylamino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide (PubChem CID 109117824) has the molecular formula C18H14Cl2N4O and a molecular weight of 373.24 g/mol. Its IUPAC name is 6-(benzylamino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide
PubChem CID109117824
Molecular FormulaC18H14Cl2N4O
Molecular Weight373.24 g/mol
Exact Mass372.05
IUPAC Name6-(benzylamino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1ccc(NCc2ccccc2)nn1
InChIInChI=1S/C18H14Cl2N4O/c19-13-7-4-8-14(20)17(13)22-18(25)15-9-10-16(24-23-15)21-11-12-5-2-1-3-6-12/h1-10H,11H2,(H,21,24)(H,22,25)
InChIKeyNYQWOKRDKCPKOX-UHFFFAOYSA-N
XLogP4.65
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 ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(benzylamino)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109117752
N-benzyl-6-(2,6-dichloroanilino)pyridazine-3-carboxamide
CID 109117975
6-(benzylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109117791
6-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
CID 109117802
6-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridazine-3-carboxamide
CID 109117826
6-(benzylamino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109117831
6-(benzylamino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide
CID 109117781
[6-(benzylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111903
N-(3,5-dichlorophenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
CID 109121355
6-(benzylamino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109117697
6-[(4-chlorophenyl)methylamino]pyridazine-3-carboxylic acid
CID 60791679
6-[[4-(methylsulfonylmethyl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide
CID 133313960

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(benzylamino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide (CID 109117824) is 6-(benzylamino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide is O=C(Nc1c(Cl)cccc1Cl)c1ccc(NCc2ccccc2)nn1.
What is the InChIKey of 6-(benzylamino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide?
The InChIKey is NYQWOKRDKCPKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N4O/c19-13-7-4-8-14(20)17(13)22-18(25)15-9-10-16(24-23-15)21-11-12-5-2-1-3-6-12/h1-10H,11H2,(H,21,24)(H,22,25).
What are the key properties of 6-(benzylamino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide?
6-(benzylamino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide has a molecular weight of 373.24 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109117824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).