3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide;ethane

C14H14Cl2N4O4 — CID 142256732

IUPAC3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide;ethane
SMILESCC.COc1ccc(NC(=O)c2cc(Cl)nnc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C12H8Cl2N4O4.C2H6/c1-22-6-2-3-8(9(4-6)18(20)21)15-12(19)7-5-10(13)16-17-11(7)14;1-2/h2-5H,1H3,(H,15,19);1-2H3
InChIKeyPDBLTZOUCVJYOP-UHFFFAOYSA-N
MW373.20 g/mol
LogP3.98
Rot. Bonds4

About 3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide;ethane

3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide;ethane (PubChem CID 142256732) has the molecular formula C14H14Cl2N4O4 and a molecular weight of 373.20 g/mol. Its IUPAC name is 3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide;ethane.

Molecular Properties

Compound Name3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide;ethane
PubChem CID142256732
Molecular FormulaC14H14Cl2N4O4
Molecular Weight373.20 g/mol
Exact Mass372.04
IUPAC Name3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide;ethane
SMILESCC.COc1ccc(NC(=O)c2cc(Cl)nnc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C12H8Cl2N4O4.C2H6/c1-22-6-2-3-8(9(4-6)18(20)21)15-12(19)7-5-10(13)16-17-11(7)14;1-2/h2-5H,1H3,(H,15,19);1-2H3
InChIKeyPDBLTZOUCVJYOP-UHFFFAOYSA-N
XLogP3.98
TPSA107.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.20
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,6-dichloro-N-(3-methoxyphenyl)pyridazine-4-carboxamide
CID 6405267
6-Chloro-N-(4-methoxy-2-nitrophenyl)-3-pyridinecarboxamide
CID 9966358
2-Chloro-N-(4-methoxy-2-nitrophenyl)-3-pyridinecarboxamide
CID 4059671
3,6-dichloro-N-[4-(difluoromethoxy)phenyl]pyridazine-4-carboxamide
CID 108096237
3,6-dichloro-N-(3-fluoro-4-methoxyphenyl)pyridazine-4-carboxamide
CID 108096270
3,6-dichloro-N-[3-(difluoromethoxy)phenyl]pyridazine-4-carboxamide
CID 108096528
3,6-dichloro-N-(2-fluoro-5-methoxyphenyl)pyridazine-4-carboxamide
CID 108097122
3,6-dichloro-N-(4-ethoxy-3-fluorophenyl)pyridazine-4-carboxamide
CID 108097230
3,6-dichloro-N-(4-fluoro-3-methoxyphenyl)pyridazine-4-carboxamide
CID 108097349
5-chloro-N-(4-methoxy-2-nitrophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 3132712
6-chloro-N-(4-methoxy-2-nitrophenyl)-1-oxidopyridin-1-ium-3-carboxamide
CID 9880284
2,6-Dichloro-N-(4-methoxy-2-nitrophenyl)-3-pyridinecarboxamide
CID 12148695

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide;ethane?
The IUPAC name of 3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide;ethane (CID 142256732) is 3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide;ethane.
What is the SMILES notation for 3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide;ethane?
The canonical SMILES for 3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide;ethane is CC.COc1ccc(NC(=O)c2cc(Cl)nnc2Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide;ethane?
The InChIKey is PDBLTZOUCVJYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4O4.C2H6/c1-22-6-2-3-8(9(4-6)18(20)21)15-12(19)7-5-10(13)16-17-11(7)14;1-2/h2-5H,1H3,(H,15,19);1-2H3.
What are the key properties of 3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide;ethane?
3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide;ethane has a molecular weight of 373.20 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(4-methoxy-2-nitrophenyl)pyridazine-4-carboxamide;ethane is sourced from PubChem (CID 142256732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).