6-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridazine-3-carboxamide

C20H19ClN4O2 — CID 109119854

IUPAC6-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridazine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(NCc3ccc(Cl)cc3)nn2)cc1
InChIInChI=1S/C20H19ClN4O2/c1-2-27-17-9-7-16(8-10-17)23-20(26)18-11-12-19(25-24-18)22-13-14-3-5-15(21)6-4-14/h3-12H,2,13H2,1H3,(H,22,25)(H,23,26)
InChIKeyVYCDTUJAYCSJGC-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.39
Rot. Bonds7

About 6-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridazine-3-carboxamide

6-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridazine-3-carboxamide (PubChem CID 109119854) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridazine-3-carboxamide
PubChem CID109119854
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name6-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridazine-3-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(NCc3ccc(Cl)cc3)nn2)cc1
InChIInChI=1S/C20H19ClN4O2/c1-2-27-17-9-7-16(8-10-17)23-20(26)18-11-12-19(25-24-18)22-13-14-3-5-15(21)6-4-14/h3-12H,2,13H2,1H3,(H,22,25)(H,23,26)
InChIKeyVYCDTUJAYCSJGC-UHFFFAOYSA-N
XLogP4.39
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-chlorophenyl)methylamino]-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109119831
N-(4-acetamidophenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120236
2-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109170970
6-[(4-chlorophenyl)methylamino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109119838
2-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109329005
N-[4-[(4-chlorophenyl)methoxy]phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109575
6-(4-ethoxyanilino)-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129382
N-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120232
N-(4-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109349110
6-[(4-chlorophenyl)methylamino]pyridazine-3-carboxylic acid
CID 60791679
6-(4-ethoxyanilino)-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109118657
5-chloro-N-[(4-ethoxyphenyl)methyl]pyridin-2-amine
CID 17380150

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridazine-3-carboxamide (CID 109119854) is 6-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridazine-3-carboxamide is CCOc1ccc(NC(=O)c2ccc(NCc3ccc(Cl)cc3)nn2)cc1.
What is the InChIKey of 6-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridazine-3-carboxamide?
The InChIKey is VYCDTUJAYCSJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-2-27-17-9-7-16(8-10-17)23-20(26)18-11-12-19(25-24-18)22-13-14-3-5-15(21)6-4-14/h3-12H,2,13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 6-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridazine-3-carboxamide?
6-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridazine-3-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109119854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).