N-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[2.4]heptan-5-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide

C27H30FN5O4S — CID 121251458

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[2.4]heptan-5-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
SMILESCC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC4(CC4)C3)n2)c1
InChIInChI=1S/C27H30FN5O4S/c1-17(2)15-37-20-13-18(12-19(28)14-20)22-7-6-21(25(30-22)33-11-10-27(16-33)8-9-27)26(34)32-38(35,36)24-5-3-4-23(29)31-24/h3-7,12-14,17H,8-11,15-16H2,1-2H3,(H2,29,31)(H,32,34)
InChIKeyZVIZMDNULZOBHJ-UHFFFAOYSA-N
MW539.63 g/mol
LogP4.01
Rot. Bonds8

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[2.4]heptan-5-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[2.4]heptan-5-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (PubChem CID 121251458) has the molecular formula C27H30FN5O4S and a molecular weight of 539.63 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[2.4]heptan-5-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[2.4]heptan-5-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
PubChem CID121251458
Molecular FormulaC27H30FN5O4S
Molecular Weight539.63 g/mol
Exact Mass539.20
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[2.4]heptan-5-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
SMILESCC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC4(CC4)C3)n2)c1
InChIInChI=1S/C27H30FN5O4S/c1-17(2)15-37-20-13-18(12-19(28)14-20)22-7-6-21(25(30-22)33-11-10-27(16-33)8-9-27)26(34)32-38(35,36)24-5-3-4-23(29)31-24/h3-7,12-14,17H,8-11,15-16H2,1-2H3,(H2,29,31)(H,32,34)
InChIKeyZVIZMDNULZOBHJ-UHFFFAOYSA-N
XLogP4.01
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.63
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[2.4]heptan-5-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[2.4]heptan-5-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (CID 121251458) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[2.4]heptan-5-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[2.4]heptan-5-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[2.4]heptan-5-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC4(CC4)C3)n2)c1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[2.4]heptan-5-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is ZVIZMDNULZOBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O4S/c1-17(2)15-37-20-13-18(12-19(28)14-20)22-7-6-21(25(30-22)33-11-10-27(16-33)8-9-27)26(34)32-38(35,36)24-5-3-4-23(29)31-24/h3-7,12-14,17H,8-11,15-16H2,1-2H3,(H2,29,31)(H,32,34).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[2.4]heptan-5-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[2.4]heptan-5-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 539.63 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[2.4]heptan-5-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 121251458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).