N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxy-4-methylsulfonylphenyl)acetamide

C19H22N4O6S — CID 11539329

IUPACN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxy-4-methylsulfonylphenyl)acetamide
SMILESCCOc1nc(NC(=O)Cc2cc(OC)c(S(C)(=O)=O)cc2OC)cc(N)c1C#N
InChIInChI=1S/C19H22N4O6S/c1-5-29-19-12(10-20)13(21)8-17(23-19)22-18(24)7-11-6-15(28-3)16(30(4,25)26)9-14(11)27-2/h6,8-9H,5,7H2,1-4H3,(H3,21,22,23,24)
InChIKeyUIRLFLOVKAOFEX-UHFFFAOYSA-N
MW434.47 g/mol
LogP1.54
Rot. Bonds8

About N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxy-4-methylsulfonylphenyl)acetamide

N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxy-4-methylsulfonylphenyl)acetamide (PubChem CID 11539329) has the molecular formula C19H22N4O6S and a molecular weight of 434.47 g/mol. Its IUPAC name is N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxy-4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxy-4-methylsulfonylphenyl)acetamide
PubChem CID11539329
Molecular FormulaC19H22N4O6S
Molecular Weight434.47 g/mol
Exact Mass434.13
IUPAC NameN-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxy-4-methylsulfonylphenyl)acetamide
SMILESCCOc1nc(NC(=O)Cc2cc(OC)c(S(C)(=O)=O)cc2OC)cc(N)c1C#N
InChIInChI=1S/C19H22N4O6S/c1-5-29-19-12(10-20)13(21)8-17(23-19)22-18(24)7-11-6-15(28-3)16(30(4,25)26)9-14(11)27-2/h6,8-9H,5,7H2,1-4H3,(H3,21,22,23,24)
InChIKeyUIRLFLOVKAOFEX-UHFFFAOYSA-N
XLogP1.54
TPSA153.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxy-4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxy-4-methylsulfonylphenyl)acetamide (CID 11539329) is N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxy-4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxy-4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxy-4-methylsulfonylphenyl)acetamide is CCOc1nc(NC(=O)Cc2cc(OC)c(S(C)(=O)=O)cc2OC)cc(N)c1C#N.
What is the InChIKey of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxy-4-methylsulfonylphenyl)acetamide?
The InChIKey is UIRLFLOVKAOFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O6S/c1-5-29-19-12(10-20)13(21)8-17(23-19)22-18(24)7-11-6-15(28-3)16(30(4,25)26)9-14(11)27-2/h6,8-9H,5,7H2,1-4H3,(H3,21,22,23,24).
What are the key properties of N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxy-4-methylsulfonylphenyl)acetamide?
N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxy-4-methylsulfonylphenyl)acetamide has a molecular weight of 434.47 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-cyano-6-ethoxy-2-pyridinyl)-2-(2,5-dimethoxy-4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 11539329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).