N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclohexylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methoxy-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C113H152FN19O16S4 — CID 159985466

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclohexylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methoxy-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCC1CN(c2nc(C(C)(C)C)c(C3=CCCCO3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.CC1CN(c2nc(C(C)(C)C)c(C3=COCCC3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.COc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2N2C[C@@H](C)CC2(C)C)n1.C[C@@H]1CN(c2nc(C(C)(C)C)c(/C=C/C3CCCCC3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1
InChIInChI=1S/C30H43N5O3S.C29H35FN4O5S.2C27H37N5O4S/c1-20-18-30(5,6)35(19-20)27-23(28(36)34-39(37,38)25-14-10-13-24(31)32-25)17-22(26(33-27)29(2,3)4)16-15-21-11-8-7-9-12-21;1-18(2)17-39-22-13-20(12-21(30)14-22)24-11-10-23(27(31-24)34-16-19(3)15-29(34,4)5)28(35)33-40(36,37)26-9-7-8-25(32-26)38-6;1-17-14-27(5,6)32(15-17)24-20(25(33)31-37(34,35)22-11-7-10-21(28)29-22)13-19(18-9-8-12-36-16-18)23(30-24)26(2,3)4;1-17-15-27(5,6)32(16-17)24-19(25(33)31-37(34,35)22-12-9-11-21(28)29-22)14-18(20-10-7-8-13-36-20)23(30-24)26(2,3)4/h10,13-17,20-21H,7-9,11-12,18-19H2,1-6H3,(H2,31,32)(H,34,36);7-14,18-19H,15-17H2,1-6H3,(H,33,35);7,10-11,13,16-17H,8-9,12,14-15H2,1-6H3,(H2,28,29)(H,31,33);9-12,14,17H,7-8,13,15-16H2,1-6H3,(H2,28,29)(H,31,33)/b16-15+;;;/t20-;19-;;/m00../s1
InChIKeyOGGVZFFHVHKSGY-GQJYONGTSA-N
MW2179.84 g/mol
LogP19.27
Rot. Bonds25

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclohexylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methoxy-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclohexylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methoxy-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 159985466) has the molecular formula C113H152FN19O16S4 and a molecular weight of 2179.84 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclohexylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methoxy-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclohexylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methoxy-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID159985466
Molecular FormulaC113H152FN19O16S4
Molecular Weight2179.84 g/mol
Exact Mass2178.05
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclohexylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methoxy-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCC1CN(c2nc(C(C)(C)C)c(C3=CCCCO3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.CC1CN(c2nc(C(C)(C)C)c(C3=COCCC3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.COc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2N2C[C@@H](C)CC2(C)C)n1.C[C@@H]1CN(c2nc(C(C)(C)C)c(/C=C/C3CCCCC3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1
InChIInChI=1S/C30H43N5O3S.C29H35FN4O5S.2C27H37N5O4S/c1-20-18-30(5,6)35(19-20)27-23(28(36)34-39(37,38)25-14-10-13-24(31)32-25)17-22(26(33-27)29(2,3)4)16-15-21-11-8-7-9-12-21;1-18(2)17-39-22-13-20(12-21(30)14-22)24-11-10-23(27(31-24)34-16-19(3)15-29(34,4)5)28(35)33-40(36,37)26-9-7-8-25(32-26)38-6;1-17-14-27(5,6)32(15-17)24-20(25(33)31-37(34,35)22-11-7-10-21(28)29-22)13-19(18-9-8-12-36-16-18)23(30-24)26(2,3)4;1-17-15-27(5,6)32(16-17)24-19(25(33)31-37(34,35)22-12-9-11-21(28)29-22)14-18(20-10-7-8-13-36-20)23(30-24)26(2,3)4/h10,13-17,20-21H,7-9,11-12,18-19H2,1-6H3,(H2,31,32)(H,34,36);7-14,18-19H,15-17H2,1-6H3,(H,33,35);7,10-11,13,16-17H,8-9,12,14-15H2,1-6H3,(H2,28,29)(H,31,33);9-12,14,17H,7-8,13,15-16H2,1-6H3,(H2,28,29)(H,31,33)/b16-15+;;;/t20-;19-;;/m00../s1
InChIKeyOGGVZFFHVHKSGY-GQJYONGTSA-N
XLogP19.27
TPSA484.02 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds25
Heavy Atoms153
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002179.84
LogP ≤ 519.27
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Analyze N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclohexylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methoxy-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-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]-6-tert-butyl-5-[(E)-2-cyclohexylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methoxy-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclohexylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methoxy-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 159985466) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclohexylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methoxy-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclohexylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methoxy-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclohexylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methoxy-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is CC1CN(c2nc(C(C)(C)C)c(C3=CCCCO3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.CC1CN(c2nc(C(C)(C)C)c(C3=COCCC3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.COc1cccc(S(=O)(=O)NC(=O)c2ccc(-c3cc(F)cc(OCC(C)C)c3)nc2N2C[C@@H](C)CC2(C)C)n1.C[C@@H]1CN(c2nc(C(C)(C)C)c(/C=C/C3CCCCC3)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclohexylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methoxy-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is OGGVZFFHVHKSGY-GQJYONGTSA-N. The full InChI is InChI=1S/C30H43N5O3S.C29H35FN4O5S.2C27H37N5O4S/c1-20-18-30(5,6)35(19-20)27-23(28(36)34-39(37,38)25-14-10-13-24(31)32-25)17-22(26(33-27)29(2,3)4)16-15-21-11-8-7-9-12-21;1-18(2)17-39-22-13-20(12-21(30)14-22)24-11-10-23(27(31-24)34-16-19(3)15-29(34,4)5)28(35)33-40(36,37)26-9-7-8-25(32-26)38-6;1-17-14-27(5,6)32(15-17)24-20(25(33)31-37(34,35)22-11-7-10-21(28)29-22)13-19(18-9-8-12-36-16-18)23(30-24)26(2,3)4;1-17-15-27(5,6)32(16-17)24-19(25(33)31-37(34,35)22-12-9-11-21(28)29-22)14-18(20-10-7-8-13-36-20)23(30-24)26(2,3)4/h10,13-17,20-21H,7-9,11-12,18-19H2,1-6H3,(H2,31,32)(H,34,36);7-14,18-19H,15-17H2,1-6H3,(H,33,35);7,10-11,13,16-17H,8-9,12,14-15H2,1-6H3,(H2,28,29)(H,31,33);9-12,14,17H,7-8,13,15-16H2,1-6H3,(H2,28,29)(H,31,33)/b16-15+;;;/t20-;19-;;/m00../s1.
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclohexylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methoxy-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclohexylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methoxy-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 2179.84 g/mol, XLogP of 19.27, 25 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-cyclohexylethenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-(3,4-dihydro-2H-pyran-6-yl)-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-N-[(6-methoxy-2-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 159985466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).