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

C14H14Cl2N4O2 — CID 109114069

IUPAC6-(2,6-dichloroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(Nc2c(Cl)cccc2Cl)nn1
InChIInChI=1S/C14H14Cl2N4O2/c1-22-8-7-17-14(21)11-5-6-12(20-19-11)18-13-9(15)3-2-4-10(13)16/h2-6H,7-8H2,1H3,(H,17,21)(H,18,20)
InChIKeyMFNFUGOTJDQWRO-UHFFFAOYSA-N
MW341.20 g/mol
LogP2.90
Rot. Bonds6

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

6-(2,6-dichloroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide (PubChem CID 109114069) has the molecular formula C14H14Cl2N4O2 and a molecular weight of 341.20 g/mol. Its IUPAC name is 6-(2,6-dichloroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2,6-dichloroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
PubChem CID109114069
Molecular FormulaC14H14Cl2N4O2
Molecular Weight341.20 g/mol
Exact Mass340.05
IUPAC Name6-(2,6-dichloroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(Nc2c(Cl)cccc2Cl)nn1
InChIInChI=1S/C14H14Cl2N4O2/c1-22-8-7-17-14(21)11-5-6-12(20-19-11)18-13-9(15)3-2-4-10(13)16/h2-6H,7-8H2,1H3,(H,17,21)(H,18,20)
InChIKeyMFNFUGOTJDQWRO-UHFFFAOYSA-N
XLogP2.90
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.20
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-6-(2,6-dichloroanilino)pyridazine-3-carboxamide
CID 109117975
6-(2-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114000
6-(3-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114048
6-(2,6-dichloroanilino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115771
6-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114007
N-cyclopropyl-6-(2,6-dichloroanilino)pyridazine-3-carboxamide
CID 109110170
6-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153423
N-[2-(3-chlorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113787
N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109113913
N-(2-methoxyethyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109113959
6-(5-chloro-2-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114369
6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114435

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichloroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(2,6-dichloroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide (CID 109114069) is 6-(2,6-dichloroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2,6-dichloroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2,6-dichloroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide is COCCNC(=O)c1ccc(Nc2c(Cl)cccc2Cl)nn1.
What is the InChIKey of 6-(2,6-dichloroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide?
The InChIKey is MFNFUGOTJDQWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N4O2/c1-22-8-7-17-14(21)11-5-6-12(20-19-11)18-13-9(15)3-2-4-10(13)16/h2-6H,7-8H2,1H3,(H,17,21)(H,18,20).
What are the key properties of 6-(2,6-dichloroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide?
6-(2,6-dichloroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide has a molecular weight of 341.20 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichloroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109114069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).