N-(3-chloro-4-methylphenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide

C17H15ClN4O2 — CID 109117441

IUPACN-(3-chloro-4-methylphenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NCc3ccco3)nn2)cc1Cl
InChIInChI=1S/C17H15ClN4O2/c1-11-4-5-12(9-14(11)18)20-17(23)15-6-7-16(22-21-15)19-10-13-3-2-8-24-13/h2-9H,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyYAAHGMLXJTWKEQ-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.90
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide

N-(3-chloro-4-methylphenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 109117441) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
PubChem CID109117441
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC NameN-(3-chloro-4-methylphenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NCc3ccco3)nn2)cc1Cl
InChIInChI=1S/C17H15ClN4O2/c1-11-4-5-12(9-14(11)18)20-17(23)15-6-7-16(22-21-15)19-10-13-3-2-8-24-13/h2-9H,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyYAAHGMLXJTWKEQ-UHFFFAOYSA-N
XLogP3.90
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118063
N-(4-bromophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109117446
N-(3-fluorophenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109117480
6-(furan-2-ylmethylamino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109117450
N-(3,4-dichlorophenyl)-5-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109187803
N-[6-(furan-2-ylmethylamino)pyridazin-3-yl]-3,4-dimethylbenzamide
CID 113040656
N-(2,5-dimethoxyphenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109117456
N-(3,4-difluorophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368072
N-(3,4-dimethylphenyl)-6-(furan-2-ylmethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853916
6-(ethylamino)-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 62172875
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 7224212
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]furan-2-carboxamide
CID 113047767

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide (CID 109117441) is N-(3-chloro-4-methylphenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(NCc3ccco3)nn2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is YAAHGMLXJTWKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-11-4-5-12(9-14(11)18)20-17(23)15-6-7-16(22-21-15)19-10-13-3-2-8-24-13/h2-9H,10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-(3-chloro-4-methylphenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide?
N-(3-chloro-4-methylphenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 342.79 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-6-(furan-2-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109117441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).