6-(5-chloro-2-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide

C16H19ClN4O2 — CID 109114369

IUPAC6-(5-chloro-2-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
SMILESCOCCCNC(=O)c1ccc(Nc2cc(Cl)ccc2C)nn1
InChIInChI=1S/C16H19ClN4O2/c1-11-4-5-12(17)10-14(11)19-15-7-6-13(20-21-15)16(22)18-8-3-9-23-2/h4-7,10H,3,8-9H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyGBSGLBHIJKSOEC-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.95
Rot. Bonds7

About 6-(5-chloro-2-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide

6-(5-chloro-2-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide (PubChem CID 109114369) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 6-(5-chloro-2-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(5-chloro-2-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
PubChem CID109114369
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name6-(5-chloro-2-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
SMILESCOCCCNC(=O)c1ccc(Nc2cc(Cl)ccc2C)nn1
InChIInChI=1S/C16H19ClN4O2/c1-11-4-5-12(17)10-14(11)19-15-7-6-13(20-21-15)16(22)18-8-3-9-23-2/h4-7,10H,3,8-9H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyGBSGLBHIJKSOEC-UHFFFAOYSA-N
XLogP2.95
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.95
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

6-(5-chloro-2-methoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114375
6-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114007
6-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114435
N-benzyl-6-(5-chloro-2-methylanilino)pyridazine-3-carboxamide
CID 109117923
N-(2,5-dichlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114249
6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114381
6-(2,4-dichloroanilino)-N-propylpyridazine-3-carboxamide
CID 109109379
methyl 3-[[6-(5-chloro-2-methylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109128865
4-N-(5-chloro-2-methylphenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082732
6-(2-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114000
N-[(4-chlorophenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114103
7-chloro-N-(3-methoxypropyl)quinoline-2-carboxamide
CID 110490274

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(5-chloro-2-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide (CID 109114369) is 6-(5-chloro-2-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(5-chloro-2-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(5-chloro-2-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide is COCCCNC(=O)c1ccc(Nc2cc(Cl)ccc2C)nn1.
What is the InChIKey of 6-(5-chloro-2-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide?
The InChIKey is GBSGLBHIJKSOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-11-4-5-12(17)10-14(11)19-15-7-6-13(20-21-15)16(22)18-8-3-9-23-2/h4-7,10H,3,8-9H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of 6-(5-chloro-2-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide?
6-(5-chloro-2-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide has a molecular weight of 334.81 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methylanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109114369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).