3,6-dichloro-N-(4-ethoxyphenyl)pyridazine-4-carboxamide

C13H11Cl2N3O2 — CID 13456224

IUPAC3,6-dichloro-N-(4-ethoxyphenyl)pyridazine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(Cl)nnc2Cl)cc1
InChIInChI=1S/C13H11Cl2N3O2/c1-2-20-9-5-3-8(4-6-9)16-13(19)10-7-11(14)17-18-12(10)15/h3-7H,2H2,1H3,(H,16,19)
InChIKeyGSICUAGEBMMSJH-UHFFFAOYSA-N
MW312.16 g/mol
LogP3.43
Rot. Bonds4

About 3,6-dichloro-N-(4-ethoxyphenyl)pyridazine-4-carboxamide

3,6-dichloro-N-(4-ethoxyphenyl)pyridazine-4-carboxamide (PubChem CID 13456224) has the molecular formula C13H11Cl2N3O2 and a molecular weight of 312.16 g/mol. Its IUPAC name is 3,6-dichloro-N-(4-ethoxyphenyl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(4-ethoxyphenyl)pyridazine-4-carboxamide
PubChem CID13456224
Molecular FormulaC13H11Cl2N3O2
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC Name3,6-dichloro-N-(4-ethoxyphenyl)pyridazine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(Cl)nnc2Cl)cc1
InChIInChI=1S/C13H11Cl2N3O2/c1-2-20-9-5-3-8(4-6-9)16-13(19)10-7-11(14)17-18-12(10)15/h3-7H,2H2,1H3,(H,16,19)
InChIKeyGSICUAGEBMMSJH-UHFFFAOYSA-N
XLogP3.43
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dichloro-N-[4-(2-hydroxyethyl)phenyl]pyridazine-4-carboxamide
CID 61221964
2-chloro-N-(4-ethoxyphenyl)-5-iodobenzamide
CID 1118900
N-(4-ethoxyphenyl)-4-hydrazinylpyridine-3-carboxamide
CID 81256247
5-amino-N-(4-ethoxyphenyl)-2-methylpyridine-3-carboxamide
CID 61040186
3-chloro-N-(4-ethoxyphenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62233417
N-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 912703
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558
N-(6-chloro-3-pyridinyl)-4-ethoxybenzamide
CID 54787908
N-(4-ethoxyphenyl)-2,4-dimethoxybenzamide
CID 669318
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 2115172
2-N,5-N-bis(4-ethoxyphenyl)pyridine-2,5-dicarboxamide
CID 3252781
N-(4-ethoxyphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639683

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(4-ethoxyphenyl)pyridazine-4-carboxamide?
The IUPAC name of 3,6-dichloro-N-(4-ethoxyphenyl)pyridazine-4-carboxamide (CID 13456224) is 3,6-dichloro-N-(4-ethoxyphenyl)pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(4-ethoxyphenyl)pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(4-ethoxyphenyl)pyridazine-4-carboxamide is CCOc1ccc(NC(=O)c2cc(Cl)nnc2Cl)cc1.
What is the InChIKey of 3,6-dichloro-N-(4-ethoxyphenyl)pyridazine-4-carboxamide?
The InChIKey is GSICUAGEBMMSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O2/c1-2-20-9-5-3-8(4-6-9)16-13(19)10-7-11(14)17-18-12(10)15/h3-7H,2H2,1H3,(H,16,19).
What are the key properties of 3,6-dichloro-N-(4-ethoxyphenyl)pyridazine-4-carboxamide?
3,6-dichloro-N-(4-ethoxyphenyl)pyridazine-4-carboxamide has a molecular weight of 312.16 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(4-ethoxyphenyl)pyridazine-4-carboxamide is sourced from PubChem (CID 13456224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).