6-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide

C20H19ClN4O — CID 109119843

IUPAC6-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide
SMILESCCN(C(=O)c1ccc(NCc2ccc(Cl)cc2)nn1)c1ccccc1
InChIInChI=1S/C20H19ClN4O/c1-2-25(17-6-4-3-5-7-17)20(26)18-12-13-19(24-23-18)22-14-15-8-10-16(21)11-9-15/h3-13H,2,14H2,1H3,(H,22,24)
InChIKeyVFAGKQQSDQLDOL-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.41
Rot. Bonds6

About 6-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide

6-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide (PubChem CID 109119843) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide
PubChem CID109119843
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name6-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide
SMILESCCN(C(=O)c1ccc(NCc2ccc(Cl)cc2)nn1)c1ccccc1
InChIInChI=1S/C20H19ClN4O/c1-2-25(17-6-4-3-5-7-17)20(26)18-12-13-19(24-23-18)22-14-15-8-10-16(21)11-9-15/h3-13H,2,14H2,1H3,(H,22,24)
InChIKeyVFAGKQQSDQLDOL-UHFFFAOYSA-N
XLogP4.41
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109282125
6-(benzylamino)-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109117833
N-ethyl-6-(furan-2-ylmethylamino)-N-phenylpyridazine-3-carboxamide
CID 109117424
6-[(4-chlorophenyl)methylamino]pyridazine-3-carboxylic acid
CID 60791679
N-ethyl-6-[2-(2-fluorophenyl)ethylamino]-N-phenylpyridazine-3-carboxamide
CID 109121948
N-benzyl-N-ethyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118471
5-(benzylamino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109188045
6-[2-(cyclohexen-1-yl)ethylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide
CID 109113559
N-ethyl-5-[(4-fluorophenyl)methylamino]-N-phenylpyrazine-2-carboxamide
CID 109281723
N-ethyl-2-methyl-6-[(4-methylphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109368973
6-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119292
N-benzyl-N-ethyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120158

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide (CID 109119843) is 6-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide is CCN(C(=O)c1ccc(NCc2ccc(Cl)cc2)nn1)c1ccccc1.
What is the InChIKey of 6-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide?
The InChIKey is VFAGKQQSDQLDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-2-25(17-6-4-3-5-7-17)20(26)18-12-13-19(24-23-18)22-14-15-8-10-16(21)11-9-15/h3-13H,2,14H2,1H3,(H,22,24).
What are the key properties of 6-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide?
6-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide has a molecular weight of 366.85 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 109119843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).