N-[(6-amino-2-pyridinyl)sulfonyl]-2-(7-azabicyclo[2.2.1]heptan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]pyridine-3-carboxamide

C80H91F3N14O13S3 — CID 157073245

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-2-(7-azabicyclo[2.2.1]heptan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]pyridine-3-carboxamide
SMILESCC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(N3CCC(C)CC3)n2)c1.CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3C4CCC3CC4)n2)c1.CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC[C@@H]3C)n2)c1
InChIInChI=1S/C27H30FN5O4S.C27H31FN4O5S.C26H30FN5O4S/c1-16(2)15-37-21-13-17(12-18(28)14-21)23-11-10-22(26(30-23)33-19-6-7-20(33)9-8-19)27(34)32-38(35,36)25-5-3-4-24(29)31-25;1-17(2)16-37-21-14-19(13-20(28)15-21)23-7-6-22(25(30-23)32-11-8-18(3)9-12-32)26(33)31-38(35,36)24-5-4-10-29-27(24)34;1-16(2)15-36-20-13-18(12-19(27)14-20)22-10-9-21(25(29-22)32-11-5-6-17(32)3)26(33)31-37(34,35)24-8-4-7-23(28)30-24/h3-5,10-14,16,19-20H,6-9,15H2,1-2H3,(H2,29,31)(H,32,34);4-7,10,13-15,17-18H,8-9,11-12,16H2,1-3H3,(H,29,34)(H,31,33);4,7-10,12-14,16-17H,5-6,11,15H2,1-3H3,(H2,28,30)(H,31,33)/t;;17-/m..0/s1
InChIKeyACRDEYIFCOELJM-IHJWVNRUSA-N
MW1609.89 g/mol
LogP12.12
Rot. Bonds24

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-(7-azabicyclo[2.2.1]heptan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(7-azabicyclo[2.2.1]heptan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]pyridine-3-carboxamide (PubChem CID 157073245) has the molecular formula C80H91F3N14O13S3 and a molecular weight of 1609.89 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(7-azabicyclo[2.2.1]heptan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-(7-azabicyclo[2.2.1]heptan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]pyridine-3-carboxamide
PubChem CID157073245
Molecular FormulaC80H91F3N14O13S3
Molecular Weight1609.89 g/mol
Exact Mass1608.60
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-(7-azabicyclo[2.2.1]heptan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]pyridine-3-carboxamide
SMILESCC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(N3CCC(C)CC3)n2)c1.CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3C4CCC3CC4)n2)c1.CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC[C@@H]3C)n2)c1
InChIInChI=1S/C27H30FN5O4S.C27H31FN4O5S.C26H30FN5O4S/c1-16(2)15-37-21-13-17(12-18(28)14-21)23-11-10-22(26(30-23)33-19-6-7-20(33)9-8-19)27(34)32-38(35,36)25-5-3-4-24(29)31-25;1-17(2)16-37-21-14-19(13-20(28)15-21)23-7-6-22(25(30-23)32-11-8-18(3)9-12-32)26(33)31-38(35,36)24-5-4-10-29-27(24)34;1-16(2)15-36-20-13-18(12-19(27)14-20)22-10-9-21(25(29-22)32-11-5-6-17(32)3)26(33)31-37(34,35)24-8-4-7-23(28)30-24/h3-5,10-14,16,19-20H,6-9,15H2,1-2H3,(H2,29,31)(H,32,34);4-7,10,13-15,17-18H,8-9,11-12,16H2,1-3H3,(H,29,34)(H,31,33);4,7-10,12-14,16-17H,5-6,11,15H2,1-3H3,(H2,28,30)(H,31,33)/t;;17-/m..0/s1
InChIKeyACRDEYIFCOELJM-IHJWVNRUSA-N
XLogP12.12
TPSA376.48 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms113
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001609.89
LogP ≤ 512.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze N-[(6-amino-2-pyridinyl)sulfonyl]-2-(7-azabicyclo[2.2.1]heptan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]pyridine-3-carboxamide with MolForge

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Related Compounds

Preparation of (14S)-8-[3-fluoro-5-(2-methylpropoxy)phenyl]-12,12-dimethyl-2lambda6-thia-3,9,11,18,23-pentaazatetracyclo[17.3.1.111,14.05,10]tetracosa-1(22),5,7,9,19(23),20-hexaene-2,2,4-trione
CID 139399907
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylazetidin-1-yl)pyridine-3-carboxamide
CID 121250415
N-(6-aminopyridin-2-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[2-methyl-5-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 121250426
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2-azabicyclo[4.1.0]heptan-2-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
CID 121250430
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-pyridin-2-ylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121250438
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2,2,4-trimethylpiperidin-1-yl)pyridine-3-carboxamide
CID 121250468
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 121250484
N-(6-aminopyridin-2-yl)sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 121250501
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(2,5-dihydropyrrol-1-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
CID 121250546
6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methoxy-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121250560
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121250566
N-[(6-amino-2-pyridinyl)sulfonyl]-2-[3-fluoro-5-(2-methylpropoxy)phenyl]-6-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121250584

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(7-azabicyclo[2.2.1]heptan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(7-azabicyclo[2.2.1]heptan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]pyridine-3-carboxamide (CID 157073245) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(7-azabicyclo[2.2.1]heptan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(7-azabicyclo[2.2.1]heptan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(7-azabicyclo[2.2.1]heptan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]pyridine-3-carboxamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(N3CCC(C)CC3)n2)c1.CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3C4CCC3CC4)n2)c1.CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC[C@@H]3C)n2)c1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(7-azabicyclo[2.2.1]heptan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]pyridine-3-carboxamide?
The InChIKey is ACRDEYIFCOELJM-IHJWVNRUSA-N. The full InChI is InChI=1S/C27H30FN5O4S.C27H31FN4O5S.C26H30FN5O4S/c1-16(2)15-37-21-13-17(12-18(28)14-21)23-11-10-22(26(30-23)33-19-6-7-20(33)9-8-19)27(34)32-38(35,36)25-5-3-4-24(29)31-25;1-17(2)16-37-21-14-19(13-20(28)15-21)23-7-6-22(25(30-23)32-11-8-18(3)9-12-32)26(33)31-38(35,36)24-5-4-10-29-27(24)34;1-16(2)15-36-20-13-18(12-19(27)14-20)22-10-9-21(25(29-22)32-11-5-6-17(32)3)26(33)31-37(34,35)24-8-4-7-23(28)30-24/h3-5,10-14,16,19-20H,6-9,15H2,1-2H3,(H2,29,31)(H,32,34);4-7,10,13-15,17-18H,8-9,11-12,16H2,1-3H3,(H,29,34)(H,31,33);4,7-10,12-14,16-17H,5-6,11,15H2,1-3H3,(H2,28,30)(H,31,33)/t;;17-/m..0/s1.
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(7-azabicyclo[2.2.1]heptan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(7-azabicyclo[2.2.1]heptan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]pyridine-3-carboxamide has a molecular weight of 1609.89 g/mol, XLogP of 12.12, 24 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(7-azabicyclo[2.2.1]heptan-7-yl)-6-[3-fluoro-5-(2-methylpropoxy)phenyl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2S)-2-methylpyrrolidin-1-yl]pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(4-methylpiperidin-1-yl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]pyridine-3-carboxamide is sourced from PubChem (CID 157073245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).