N-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[3.4]octan-5-yl)-6-[5-fluoro-1-(2-methylpropoxy)cyclohexa-2,4-dien-1-yl]pyridine-3-carboxamide

C28H34FN5O4S — CID 130203190

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[3.4]octan-5-yl)-6-[5-fluoro-1-(2-methylpropoxy)cyclohexa-2,4-dien-1-yl]pyridine-3-carboxamide
SMILESCC(C)COC1(c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCCC34CCC4)n2)C=CC=C(F)C1
InChIInChI=1S/C28H34FN5O4S/c1-19(2)18-38-28(15-4-7-20(29)17-28)22-11-10-21(25(31-22)34-16-6-14-27(34)12-5-13-27)26(35)33-39(36,37)24-9-3-8-23(30)32-24/h3-4,7-11,15,19H,5-6,12-14,16-18H2,1-2H3,(H2,30,32)(H,33,35)
InChIKeyFTQUMSGPDAJKOX-UHFFFAOYSA-N
MW555.68 g/mol
LogP4.38
Rot. Bonds8

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[3.4]octan-5-yl)-6-[5-fluoro-1-(2-methylpropoxy)cyclohexa-2,4-dien-1-yl]pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[3.4]octan-5-yl)-6-[5-fluoro-1-(2-methylpropoxy)cyclohexa-2,4-dien-1-yl]pyridine-3-carboxamide (PubChem CID 130203190) 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-(5-azaspiro[3.4]octan-5-yl)-6-[5-fluoro-1-(2-methylpropoxy)cyclohexa-2,4-dien-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[3.4]octan-5-yl)-6-[5-fluoro-1-(2-methylpropoxy)cyclohexa-2,4-dien-1-yl]pyridine-3-carboxamide
PubChem CID130203190
Molecular FormulaC28H34FN5O4S
Molecular Weight555.68 g/mol
Exact Mass555.23
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[3.4]octan-5-yl)-6-[5-fluoro-1-(2-methylpropoxy)cyclohexa-2,4-dien-1-yl]pyridine-3-carboxamide
SMILESCC(C)COC1(c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCCC34CCC4)n2)C=CC=C(F)C1
InChIInChI=1S/C28H34FN5O4S/c1-19(2)18-38-28(15-4-7-20(29)17-28)22-11-10-21(25(31-22)34-16-6-14-27(34)12-5-13-27)26(35)33-39(36,37)24-9-3-8-23(30)32-24/h3-4,7-11,15,19H,5-6,12-14,16-18H2,1-2H3,(H2,30,32)(H,33,35)
InChIKeyFTQUMSGPDAJKOX-UHFFFAOYSA-N
XLogP4.38
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.68
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[3.4]octan-5-yl)-6-[5-fluoro-1-(2-methylpropoxy)cyclohexa-2,4-dien-1-yl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[3.4]octan-5-yl)-6-[5-fluoro-1-(2-methylpropoxy)cyclohexa-2,4-dien-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[3.4]octan-5-yl)-6-[5-fluoro-1-(2-methylpropoxy)cyclohexa-2,4-dien-1-yl]pyridine-3-carboxamide (CID 130203190) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[3.4]octan-5-yl)-6-[5-fluoro-1-(2-methylpropoxy)cyclohexa-2,4-dien-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[3.4]octan-5-yl)-6-[5-fluoro-1-(2-methylpropoxy)cyclohexa-2,4-dien-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[3.4]octan-5-yl)-6-[5-fluoro-1-(2-methylpropoxy)cyclohexa-2,4-dien-1-yl]pyridine-3-carboxamide is CC(C)COC1(c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCCC34CCC4)n2)C=CC=C(F)C1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[3.4]octan-5-yl)-6-[5-fluoro-1-(2-methylpropoxy)cyclohexa-2,4-dien-1-yl]pyridine-3-carboxamide?
The InChIKey is FTQUMSGPDAJKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN5O4S/c1-19(2)18-38-28(15-4-7-20(29)17-28)22-11-10-21(25(31-22)34-16-6-14-27(34)12-5-13-27)26(35)33-39(36,37)24-9-3-8-23(30)32-24/h3-4,7-11,15,19H,5-6,12-14,16-18H2,1-2H3,(H2,30,32)(H,33,35).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[3.4]octan-5-yl)-6-[5-fluoro-1-(2-methylpropoxy)cyclohexa-2,4-dien-1-yl]pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(5-azaspiro[3.4]octan-5-yl)-6-[5-fluoro-1-(2-methylpropoxy)cyclohexa-2,4-dien-1-yl]pyridine-3-carboxamide has a molecular weight of 555.68 g/mol, XLogP of 4.38, 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[3.4]octan-5-yl)-6-[5-fluoro-1-(2-methylpropoxy)cyclohexa-2,4-dien-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 130203190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).