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

C28H28FN5O5S — CID 121252006

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-4-ylethoxy)pyridine-3-carboxamide
SMILESCC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(OCCc3ccncc3)n2)c1
InChIInChI=1S/C28H28FN5O5S/c1-18(2)17-39-22-15-20(14-21(29)16-22)24-7-6-23(28(32-24)38-13-10-19-8-11-31-12-9-19)27(35)34-40(36,37)26-5-3-4-25(30)33-26/h3-9,11-12,14-16,18H,10,13,17H2,1-2H3,(H2,30,33)(H,34,35)
InChIKeyZDWOHZUEYXQHKM-UHFFFAOYSA-N
MW565.63 g/mol
LogP4.03
Rot. Bonds11

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-4-ylethoxy)pyridine-3-carboxamide (PubChem CID 121252006) has the molecular formula C28H28FN5O5S and a molecular weight of 565.63 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-4-ylethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-4-ylethoxy)pyridine-3-carboxamide
PubChem CID121252006
Molecular FormulaC28H28FN5O5S
Molecular Weight565.63 g/mol
Exact Mass565.18
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-4-ylethoxy)pyridine-3-carboxamide
SMILESCC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(OCCc3ccncc3)n2)c1
InChIInChI=1S/C28H28FN5O5S/c1-18(2)17-39-22-15-20(14-21(29)16-22)24-7-6-23(28(32-24)38-13-10-19-8-11-31-12-9-19)27(35)34-40(36,37)26-5-3-4-25(30)33-26/h3-9,11-12,14-16,18H,10,13,17H2,1-2H3,(H2,30,33)(H,34,35)
InChIKeyZDWOHZUEYXQHKM-UHFFFAOYSA-N
XLogP4.03
TPSA146.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.63
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-4-ylethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-4-ylethoxy)pyridine-3-carboxamide (CID 121252006) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-4-ylethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-4-ylethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-4-ylethoxy)pyridine-3-carboxamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(OCCc3ccncc3)n2)c1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-4-ylethoxy)pyridine-3-carboxamide?
The InChIKey is ZDWOHZUEYXQHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O5S/c1-18(2)17-39-22-15-20(14-21(29)16-22)24-7-6-23(28(32-24)38-13-10-19-8-11-31-12-9-19)27(35)34-40(36,37)26-5-3-4-25(30)33-26/h3-9,11-12,14-16,18H,10,13,17H2,1-2H3,(H2,30,33)(H,34,35).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-4-ylethoxy)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-4-ylethoxy)pyridine-3-carboxamide has a molecular weight of 565.63 g/mol, XLogP of 4.03, 11 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-(2-pyridin-4-ylethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121252006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).