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N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide

C28H34FN5O4S — CID 121252624

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
SMILESCCC1CCC(C)N1c1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1
InChIInChI=1S/C28H34FN5O4S/c1-5-21-10-9-18(4)34(21)27-23(28(35)33-39(36,37)26-8-6-7-25(30)32-26)11-12-24(31-27)19-13-20(29)15-22(14-19)38-16-17(2)3/h6-8,11-15,17-18,21H,5,9-10,16H2,1-4H3,(H2,30,32)(H,33,35)
InChIKeyPVIIRCHWGVGFLT-UHFFFAOYSA-N
MW555.68 g/mol
LogP4.79
Rot. Bonds9

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (PubChem CID 121252624) has the molecular formula C28H34FN5O4S and a molecular weight of 555.68 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
PubChem CID121252624
Molecular FormulaC28H34FN5O4S
Molecular Weight555.68 g/mol
Exact Mass555.23
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
SMILESCCC1CCC(C)N1c1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1
InChIInChI=1S/C28H34FN5O4S/c1-5-21-10-9-18(4)34(21)27-23(28(35)33-39(36,37)26-8-6-7-25(30)32-26)11-12-24(31-27)19-13-20(29)15-22(14-19)38-16-17(2)3/h6-8,11-15,17-18,21H,5,9-10,16H2,1-4H3,(H2,30,32)(H,33,35)
InChIKeyPVIIRCHWGVGFLT-UHFFFAOYSA-N
XLogP4.79
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.68
LogP ≤ 54.79
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-(2-ethyl-5-methylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide (CID 121252624) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is CCC1CCC(C)N1c1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is PVIIRCHWGVGFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN5O4S/c1-5-21-10-9-18(4)34(21)27-23(28(35)33-39(36,37)26-8-6-7-25(30)32-26)11-12-24(31-27)19-13-20(29)15-22(14-19)38-16-17(2)3/h6-8,11-15,17-18,21H,5,9-10,16H2,1-4H3,(H2,30,32)(H,33,35).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-ethyl-5-methylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 555.68 g/mol, XLogP of 4.79, 9 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-(2-ethyl-5-methylpyrrolidin-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 121252624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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