N-(2-chlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide

C15H17ClN4O2 — CID 109114184

IUPACN-(2-chlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
SMILESCOCCCNc1ccc(C(=O)Nc2ccccc2Cl)nn1
InChIInChI=1S/C15H17ClN4O2/c1-22-10-4-9-17-14-8-7-13(19-20-14)15(21)18-12-6-3-2-5-11(12)16/h2-3,5-8H,4,9-10H2,1H3,(H,17,20)(H,18,21)
InChIKeyNLRRRPTUGFMZTR-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.83
Rot. Bonds7

About N-(2-chlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide

N-(2-chlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide (PubChem CID 109114184) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
PubChem CID109114184
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC NameN-(2-chlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
SMILESCOCCCNc1ccc(C(=O)Nc2ccccc2Cl)nn1
InChIInChI=1S/C15H17ClN4O2/c1-22-10-4-9-17-14-8-7-13(19-20-14)15(21)18-12-6-3-2-5-11(12)16/h2-3,5-8H,4,9-10H2,1H3,(H,17,20)(H,18,21)
InChIKeyNLRRRPTUGFMZTR-UHFFFAOYSA-N
XLogP2.83
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.83
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-(butylamino)-N-(2-chlorophenyl)pyridazine-3-carboxamide
CID 109110690
N-(2,5-dichlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114249
6-(3-methoxypropylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109114208
N-(4-tert-butylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114181
6-(3-methoxypropylamino)-N-(4-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 109114176
N-(4-ethylphenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114172
N-[(4-chlorophenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114103
N-[4-(dimethylamino)phenyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114220
6-(3-methoxypropylamino)-N-(4-phenylmethoxyphenyl)pyridazine-3-carboxamide
CID 109114229
6-(butylamino)-N-(2,5-dichlorophenyl)pyridazine-3-carboxamide
CID 109110754
methyl 4-[[6-[(2-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128634
N-(2-iodophenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62167021

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide (CID 109114184) is N-(2-chlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide is COCCCNc1ccc(C(=O)Nc2ccccc2Cl)nn1.
What is the InChIKey of N-(2-chlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide?
The InChIKey is NLRRRPTUGFMZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-22-10-4-9-17-14-8-7-13(19-20-14)15(21)18-12-6-3-2-5-11(12)16/h2-3,5-8H,4,9-10H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-(2-chlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide?
N-(2-chlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide has a molecular weight of 320.78 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109114184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).