5-cyano-6-ethoxy-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide

C17H17N3O4S — CID 11846294

IUPAC5-cyano-6-ethoxy-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)ccc1C#N
InChIInChI=1S/C17H17N3O4S/c1-3-24-17-13(10-18)6-9-15(20-17)16(21)19-11-12-4-7-14(8-5-12)25(2,22)23/h4-9H,3,11H2,1-2H3,(H,19,21)
InChIKeyGCJDFBAXDJMMIC-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.69
Rot. Bonds6

About 5-cyano-6-ethoxy-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide

5-cyano-6-ethoxy-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 11846294) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 5-cyano-6-ethoxy-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-6-ethoxy-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide
PubChem CID11846294
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name5-cyano-6-ethoxy-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide
SMILESCCOc1nc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)ccc1C#N
InChIInChI=1S/C17H17N3O4S/c1-3-24-17-13(10-18)6-9-15(20-17)16(21)19-11-12-4-7-14(8-5-12)25(2,22)23/h4-9H,3,11H2,1-2H3,(H,19,21)
InChIKeyGCJDFBAXDJMMIC-UHFFFAOYSA-N
XLogP1.69
TPSA109.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-6-ethoxy-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-cyano-6-ethoxy-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide (CID 11846294) is 5-cyano-6-ethoxy-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-6-ethoxy-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-6-ethoxy-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide is CCOc1nc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)ccc1C#N.
What is the InChIKey of 5-cyano-6-ethoxy-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is GCJDFBAXDJMMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-3-24-17-13(10-18)6-9-15(20-17)16(21)19-11-12-4-7-14(8-5-12)25(2,22)23/h4-9H,3,11H2,1-2H3,(H,19,21).
What are the key properties of 5-cyano-6-ethoxy-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide?
5-cyano-6-ethoxy-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 359.41 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-6-ethoxy-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 11846294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).