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

C16H19ClN4O3 — CID 109114375

IUPAC6-(5-chloro-2-methoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
SMILESCOCCCNC(=O)c1ccc(Nc2cc(Cl)ccc2OC)nn1
InChIInChI=1S/C16H19ClN4O3/c1-23-9-3-8-18-16(22)12-5-7-15(21-20-12)19-13-10-11(17)4-6-14(13)24-2/h4-7,10H,3,8-9H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyRYGHZAGQODTPKX-UHFFFAOYSA-N
MW350.81 g/mol
LogP2.65
Rot. Bonds8

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

6-(5-chloro-2-methoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide (PubChem CID 109114375) has the molecular formula C16H19ClN4O3 and a molecular weight of 350.81 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
PubChem CID109114375
Molecular FormulaC16H19ClN4O3
Molecular Weight350.81 g/mol
Exact Mass350.11
IUPAC Name6-(5-chloro-2-methoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
SMILESCOCCCNC(=O)c1ccc(Nc2cc(Cl)ccc2OC)nn1
InChIInChI=1S/C16H19ClN4O3/c1-23-9-3-8-18-16(22)12-5-7-15(21-20-12)19-13-10-11(17)4-6-14(13)24-2/h4-7,10H,3,8-9H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyRYGHZAGQODTPKX-UHFFFAOYSA-N
XLogP2.65
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
6-(5-chloro-2-methoxyanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111275
6-(4-chloro-2-methylanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114007
N-(4-acetylphenyl)-6-(5-chloro-2-methoxyanilino)pyridazine-3-carboxamide
CID 109129093
6-(4-chloro-2,5-dimethoxyanilino)-N-propylpyridazine-3-carboxamide
CID 109109384
6-(2-ethoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114381
N-(2,5-dichlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114249
6-(2-methoxyanilino)-N-pentylpyridazine-3-carboxamide
CID 109125507
N-benzyl-6-(5-chloro-2-methoxyanilino)-N-methylpyridazine-3-carboxamide
CID 109119122
5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide
CID 109179165
6-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109338561

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(5-chloro-2-methoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide (CID 109114375) is 6-(5-chloro-2-methoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(5-chloro-2-methoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(5-chloro-2-methoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide is COCCCNC(=O)c1ccc(Nc2cc(Cl)ccc2OC)nn1.
What is the InChIKey of 6-(5-chloro-2-methoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide?
The InChIKey is RYGHZAGQODTPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3/c1-23-9-3-8-18-16(22)12-5-7-15(21-20-12)19-13-10-11(17)4-6-14(13)24-2/h4-7,10H,3,8-9H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of 6-(5-chloro-2-methoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide?
6-(5-chloro-2-methoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide has a molecular weight of 350.81 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methoxyanilino)-N-(3-methoxypropyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109114375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).