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

C19H18N4O4S — CID 16799435

IUPAC2-ethoxy-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cccc(-c2ccc(S(C)(=O)=O)nn2)c1
InChIInChI=1S/C19H18N4O4S/c1-3-27-19-15(8-5-11-20-19)18(24)21-14-7-4-6-13(12-14)16-9-10-17(23-22-16)28(2,25)26/h4-12H,3H2,1-2H3,(H,21,24)
InChIKeyCIDCXKWDURCIOK-UHFFFAOYSA-N
MW398.44 g/mol
LogP2.59
Rot. Bonds6

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

2-ethoxy-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide (PubChem CID 16799435) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is 2-ethoxy-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide
PubChem CID16799435
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC Name2-ethoxy-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cccc(-c2ccc(S(C)(=O)=O)nn2)c1
InChIInChI=1S/C19H18N4O4S/c1-3-27-19-15(8-5-11-20-19)18(24)21-14-7-4-6-13(12-14)16-9-10-17(23-22-16)28(2,25)26/h4-12H,3H2,1-2H3,(H,21,24)
InChIKeyCIDCXKWDURCIOK-UHFFFAOYSA-N
XLogP2.59
TPSA111.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethoxy-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide
CID 41213037
N-(3-acetylphenyl)-2-ethoxypyridine-3-carboxamide
CID 7959021
2-bromo-N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]benzamide
CID 26841808
2-ethoxy-N-[3-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 17392452
2-ethoxy-N-[3-(6-ethoxypyridazin-3-yl)phenyl]benzamide
CID 7593638
2,2,2-trifluoro-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 18567784
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-3-nitrobenzamide
CID 26841756
2-ethoxy-N-pyridin-3-ylpyridine-3-carboxamide
CID 23876862
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-3,3-diphenylpropanamide
CID 18567788
2-(4-methoxyphenyl)-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 16799410
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-fluorobenzamide
CID 18567798
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]methanesulfonamide
CID 26842222

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide (CID 16799435) is 2-ethoxy-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1cccc(-c2ccc(S(C)(=O)=O)nn2)c1.
What is the InChIKey of 2-ethoxy-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is CIDCXKWDURCIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-3-27-19-15(8-5-11-20-19)18(24)21-14-7-4-6-13(12-14)16-9-10-17(23-22-16)28(2,25)26/h4-12H,3H2,1-2H3,(H,21,24).
What are the key properties of 2-ethoxy-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide?
2-ethoxy-N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 2.59, 6 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-methylsulfonylpyridazin-3-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 16799435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).