N-[2-(3-chlorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide

C16H19ClN4O2 — CID 109113787

IUPACN-[2-(3-chlorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide
SMILESCOCCNc1ccc(C(=O)NCCc2cccc(Cl)c2)nn1
InChIInChI=1S/C16H19ClN4O2/c1-23-10-9-18-15-6-5-14(20-21-15)16(22)19-8-7-12-3-2-4-13(17)11-12/h2-6,11H,7-10H2,1H3,(H,18,21)(H,19,22)
InChIKeyUDKAHPONPMDCMD-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.16
Rot. Bonds8

About N-[2-(3-chlorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide

N-[2-(3-chlorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide (PubChem CID 109113787) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide
PubChem CID109113787
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide
SMILESCOCCNc1ccc(C(=O)NCCc2cccc(Cl)c2)nn1
InChIInChI=1S/C16H19ClN4O2/c1-23-10-9-18-15-6-5-14(20-21-15)16(22)19-8-7-12-3-2-4-13(17)11-12/h2-6,11H,7-10H2,1H3,(H,18,21)(H,19,22)
InChIKeyUDKAHPONPMDCMD-UHFFFAOYSA-N
XLogP2.16
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.16
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-(2-methoxyethyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109113931
N-tert-butyl-6-[2-(3-chlorophenyl)ethylamino]pyridazine-3-carboxamide
CID 109124842
N-(3-chlorophenyl)-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122361
N-[2-(3-chlorophenyl)ethyl]-6-propan-2-ylpyridazine-3-carboxamide
CID 113200400
N-(2-methoxyethyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109113959
N-[2-(3-chlorophenyl)ethyl]-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109126338
N-[2-(2-fluorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113743
6-[2-(3-chlorophenyl)ethylamino]-N-cyclopentylpyridazine-3-carboxamide
CID 109112342
6-[2-(3-chlorophenyl)ethylamino]-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 109118859
6-[2-(4-methoxyphenoxy)ethylamino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121641
3-N-[2-(3-chlorophenyl)ethyl]-5-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103459
N-[2-(4-fluorophenyl)ethyl]-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122136

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide (CID 109113787) is N-[2-(3-chlorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide is COCCNc1ccc(C(=O)NCCc2cccc(Cl)c2)nn1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide?
The InChIKey is UDKAHPONPMDCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-23-10-9-18-15-6-5-14(20-21-15)16(22)19-8-7-12-3-2-4-13(17)11-12/h2-6,11H,7-10H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide has a molecular weight of 334.81 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-6-(2-methoxyethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109113787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).