N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-pyridin-2-ylbutoxy)pyridine-3-carboxamide

C30H32FN5O5S — CID 121251654

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-pyridin-2-ylbutoxy)pyridine-3-carboxamide
SMILESCC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(OCCCCc3ccccn3)n2)c1
InChIInChI=1S/C30H32FN5O5S/c1-20(2)19-41-24-17-21(16-22(31)18-24)26-13-12-25(29(37)36-42(38,39)28-11-7-10-27(32)35-28)30(34-26)40-15-6-4-9-23-8-3-5-14-33-23/h3,5,7-8,10-14,16-18,20H,4,6,9,15,19H2,1-2H3,(H2,32,35)(H,36,37)
InChIKeyFYUNEATTZRJFTK-UHFFFAOYSA-N
MW593.68 g/mol
LogP4.82
Rot. Bonds13

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-pyridin-2-ylbutoxy)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-pyridin-2-ylbutoxy)pyridine-3-carboxamide (PubChem CID 121251654) has the molecular formula C30H32FN5O5S and a molecular weight of 593.68 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-pyridin-2-ylbutoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-pyridin-2-ylbutoxy)pyridine-3-carboxamide
PubChem CID121251654
Molecular FormulaC30H32FN5O5S
Molecular Weight593.68 g/mol
Exact Mass593.21
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-pyridin-2-ylbutoxy)pyridine-3-carboxamide
SMILESCC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(OCCCCc3ccccn3)n2)c1
InChIInChI=1S/C30H32FN5O5S/c1-20(2)19-41-24-17-21(16-22(31)18-24)26-13-12-25(29(37)36-42(38,39)28-11-7-10-27(32)35-28)30(34-26)40-15-6-4-9-23-8-3-5-14-33-23/h3,5,7-8,10-14,16-18,20H,4,6,9,15,19H2,1-2H3,(H2,32,35)(H,36,37)
InChIKeyFYUNEATTZRJFTK-UHFFFAOYSA-N
XLogP4.82
TPSA146.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.68
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-pyridin-2-ylbutoxy)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-pyridin-2-ylbutoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-pyridin-2-ylbutoxy)pyridine-3-carboxamide (CID 121251654) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-pyridin-2-ylbutoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-pyridin-2-ylbutoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-pyridin-2-ylbutoxy)pyridine-3-carboxamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(OCCCCc3ccccn3)n2)c1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-pyridin-2-ylbutoxy)pyridine-3-carboxamide?
The InChIKey is FYUNEATTZRJFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN5O5S/c1-20(2)19-41-24-17-21(16-22(31)18-24)26-13-12-25(29(37)36-42(38,39)28-11-7-10-27(32)35-28)30(34-26)40-15-6-4-9-23-8-3-5-14-33-23/h3,5,7-8,10-14,16-18,20H,4,6,9,15,19H2,1-2H3,(H2,32,35)(H,36,37).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-pyridin-2-ylbutoxy)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-pyridin-2-ylbutoxy)pyridine-3-carboxamide has a molecular weight of 593.68 g/mol, XLogP of 4.82, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-pyridin-2-ylbutoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121251654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).