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

C20H24N4O6S — CID 11640926

IUPACN-(4-amino-5-cyano-6-propan-2-yloxy-2-pyridinyl)-2-(2,5-dimethoxy-4-methylsulfonylphenyl)acetamide
SMILESCOc1cc(S(C)(=O)=O)c(OC)cc1CC(=O)Nc1cc(N)c(C#N)c(OC(C)C)n1
InChIInChI=1S/C20H24N4O6S/c1-11(2)30-20-13(10-21)14(22)8-18(24-20)23-19(25)7-12-6-16(29-4)17(31(5,26)27)9-15(12)28-3/h6,8-9,11H,7H2,1-5H3,(H3,22,23,24,25)
InChIKeyCSDDCHPGQGWRLI-UHFFFAOYSA-N
MW448.50 g/mol
LogP1.92
Rot. Bonds8

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

N-(4-amino-5-cyano-6-propan-2-yloxy-2-pyridinyl)-2-(2,5-dimethoxy-4-methylsulfonylphenyl)acetamide (PubChem CID 11640926) has the molecular formula C20H24N4O6S and a molecular weight of 448.50 g/mol. Its IUPAC name is N-(4-amino-5-cyano-6-propan-2-yloxy-2-pyridinyl)-2-(2,5-dimethoxy-4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-5-cyano-6-propan-2-yloxy-2-pyridinyl)-2-(2,5-dimethoxy-4-methylsulfonylphenyl)acetamide
PubChem CID11640926
Molecular FormulaC20H24N4O6S
Molecular Weight448.50 g/mol
Exact Mass448.14
IUPAC NameN-(4-amino-5-cyano-6-propan-2-yloxy-2-pyridinyl)-2-(2,5-dimethoxy-4-methylsulfonylphenyl)acetamide
SMILESCOc1cc(S(C)(=O)=O)c(OC)cc1CC(=O)Nc1cc(N)c(C#N)c(OC(C)C)n1
InChIInChI=1S/C20H24N4O6S/c1-11(2)30-20-13(10-21)14(22)8-18(24-20)23-19(25)7-12-6-16(29-4)17(31(5,26)27)9-15(12)28-3/h6,8-9,11H,7H2,1-5H3,(H3,22,23,24,25)
InChIKeyCSDDCHPGQGWRLI-UHFFFAOYSA-N
XLogP1.92
TPSA153.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 51.92
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-propan-2-yloxy-2-pyridinyl)-2-(2,5-dimethoxy-4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-(4-amino-5-cyano-6-propan-2-yloxy-2-pyridinyl)-2-(2,5-dimethoxy-4-methylsulfonylphenyl)acetamide (CID 11640926) is N-(4-amino-5-cyano-6-propan-2-yloxy-2-pyridinyl)-2-(2,5-dimethoxy-4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(4-amino-5-cyano-6-propan-2-yloxy-2-pyridinyl)-2-(2,5-dimethoxy-4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-(4-amino-5-cyano-6-propan-2-yloxy-2-pyridinyl)-2-(2,5-dimethoxy-4-methylsulfonylphenyl)acetamide is COc1cc(S(C)(=O)=O)c(OC)cc1CC(=O)Nc1cc(N)c(C#N)c(OC(C)C)n1.
What is the InChIKey of N-(4-amino-5-cyano-6-propan-2-yloxy-2-pyridinyl)-2-(2,5-dimethoxy-4-methylsulfonylphenyl)acetamide?
The InChIKey is CSDDCHPGQGWRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O6S/c1-11(2)30-20-13(10-21)14(22)8-18(24-20)23-19(25)7-12-6-16(29-4)17(31(5,26)27)9-15(12)28-3/h6,8-9,11H,7H2,1-5H3,(H3,22,23,24,25).
What are the key properties of N-(4-amino-5-cyano-6-propan-2-yloxy-2-pyridinyl)-2-(2,5-dimethoxy-4-methylsulfonylphenyl)acetamide?
N-(4-amino-5-cyano-6-propan-2-yloxy-2-pyridinyl)-2-(2,5-dimethoxy-4-methylsulfonylphenyl)acetamide has a molecular weight of 448.50 g/mol, XLogP of 1.92, 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-propan-2-yloxy-2-pyridinyl)-2-(2,5-dimethoxy-4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 11640926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).