N-[(6-amino-5-fluoro-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

C24H27FN4O4S — CID 121250916

IUPACN-[(6-amino-5-fluoro-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCc1cc(C)c(Oc2nc(C(C)(C)C)ccc2C(=O)NS(=O)(=O)c2ccc(F)c(N)n2)c(C)c1
InChIInChI=1S/C24H27FN4O4S/c1-13-11-14(2)20(15(3)12-13)33-23-16(7-9-18(27-23)24(4,5)6)22(30)29-34(31,32)19-10-8-17(25)21(26)28-19/h7-12H,1-6H3,(H2,26,28)(H,29,30)
InChIKeyVNKSDYFGYIXBCF-UHFFFAOYSA-N
MW486.57 g/mol
LogP4.33
Rot. Bonds5

About N-[(6-amino-5-fluoro-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

N-[(6-amino-5-fluoro-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 121250916) has the molecular formula C24H27FN4O4S and a molecular weight of 486.57 g/mol. Its IUPAC name is N-[(6-amino-5-fluoro-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-5-fluoro-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
PubChem CID121250916
Molecular FormulaC24H27FN4O4S
Molecular Weight486.57 g/mol
Exact Mass486.17
IUPAC NameN-[(6-amino-5-fluoro-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCc1cc(C)c(Oc2nc(C(C)(C)C)ccc2C(=O)NS(=O)(=O)c2ccc(F)c(N)n2)c(C)c1
InChIInChI=1S/C24H27FN4O4S/c1-13-11-14(2)20(15(3)12-13)33-23-16(7-9-18(27-23)24(4,5)6)22(30)29-34(31,32)19-10-8-17(25)21(26)28-19/h7-12H,1-6H3,(H2,26,28)(H,29,30)
InChIKeyVNKSDYFGYIXBCF-UHFFFAOYSA-N
XLogP4.33
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-5-fluoro-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-5-fluoro-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 121250916) is N-[(6-amino-5-fluoro-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-5-fluoro-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-5-fluoro-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is Cc1cc(C)c(Oc2nc(C(C)(C)C)ccc2C(=O)NS(=O)(=O)c2ccc(F)c(N)n2)c(C)c1.
What is the InChIKey of N-[(6-amino-5-fluoro-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The InChIKey is VNKSDYFGYIXBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O4S/c1-13-11-14(2)20(15(3)12-13)33-23-16(7-9-18(27-23)24(4,5)6)22(30)29-34(31,32)19-10-8-17(25)21(26)28-19/h7-12H,1-6H3,(H2,26,28)(H,29,30).
What are the key properties of N-[(6-amino-5-fluoro-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
N-[(6-amino-5-fluoro-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-5-fluoro-2-pyridinyl)sulfonyl]-6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121250916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).