2-ethoxy-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide

C20H20N4O4S — CID 41213037

IUPAC2-ethoxy-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cccc(-c2ccc(S(=O)(=O)CC)nn2)c1
InChIInChI=1S/C20H20N4O4S/c1-3-28-20-16(9-6-12-21-20)19(25)22-15-8-5-7-14(13-15)17-10-11-18(24-23-17)29(26,27)4-2/h5-13H,3-4H2,1-2H3,(H,22,25)
InChIKeyWLPYLTLOLJYVQT-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.98
Rot. Bonds7

About 2-ethoxy-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide

2-ethoxy-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide (PubChem CID 41213037) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is 2-ethoxy-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide
PubChem CID41213037
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Name2-ethoxy-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cccc(-c2ccc(S(=O)(=O)CC)nn2)c1
InChIInChI=1S/C20H20N4O4S/c1-3-28-20-16(9-6-12-21-20)19(25)22-15-8-5-7-14(13-15)17-10-11-18(24-23-17)29(26,27)4-2/h5-13H,3-4H2,1-2H3,(H,22,25)
InChIKeyWLPYLTLOLJYVQT-UHFFFAOYSA-N
XLogP2.98
TPSA111.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethoxy-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide
CID 16799435
2-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide
CID 26841808
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-fluorobenzamide
CID 18567798
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethylbenzamide
CID 26841794
N-(3-acetylphenyl)-2-ethoxypyridine-3-carboxamide
CID 7959021
5-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]furan-2-carboxamide
CID 18567813
2-ethoxy-N-[3-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 17392452
2-ethoxy-N-[3-(6-ethoxypyridazin-3-yl)phenyl]benzamide
CID 7593638
2-ethoxy-N-pyridin-3-ylpyridine-3-carboxamide
CID 23876862
2-(3,4-dimethoxyphenyl)-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 41213020
2-chloro-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide
CID 41213122
8-ethoxy-N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-2-oxochromene-3-carboxamide
CID 41213186

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide (CID 41213037) is 2-ethoxy-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1cccc(-c2ccc(S(=O)(=O)CC)nn2)c1.
What is the InChIKey of 2-ethoxy-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is WLPYLTLOLJYVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-3-28-20-16(9-6-12-21-20)19(25)22-15-8-5-7-14(13-15)17-10-11-18(24-23-17)29(26,27)4-2/h5-13H,3-4H2,1-2H3,(H,22,25).
What are the key properties of 2-ethoxy-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide?
2-ethoxy-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 412.47 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 41213037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).