N-[(3R)-3-aminocyclohexyl]sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-3,3-dimethylbut-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-pent-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2-methylpropoxy)-4-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C111H155FN20O14S4 — CID 161030771

IUPACN-[(3R)-3-aminocyclohexyl]sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-3,3-dimethylbut-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-pent-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2-methylpropoxy)-4-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)COc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3C[C@@H](C)CC3(C)C)n2)ccn1.CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)C3CCC[C@@H](N)C3)c(N3C[C@@H](C)CC3(C)C)n2)c1.CCC/C=C/c1cc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2C[C@@H](C)CC2(C)C)nc1C(C)(C)C.C[C@@H]1CN(c2nc(C(C)(C)C)c(/C=C/C(C)(C)C)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1
InChIInChI=1S/C29H41FN4O4S.C28H41N5O3S.C27H34N6O4S.C27H39N5O3S/c1-18(2)17-38-23-12-20(11-21(30)13-23)26-10-9-25(27(32-26)34-16-19(3)15-29(34,4)5)28(35)33-39(36,37)24-8-6-7-22(31)14-24;1-18-16-28(8,9)33(17-18)24-20(25(34)32-37(35,36)22-12-10-11-21(29)30-22)15-19(13-14-26(2,3)4)23(31-24)27(5,6)7;1-17(2)16-37-23-13-19(11-12-29-23)21-10-9-20(25(30-21)33-15-18(3)14-27(33,4)5)26(34)32-38(35,36)24-8-6-7-22(28)31-24;1-8-9-10-12-19-15-20(25(33)31-36(34,35)22-14-11-13-21(28)29-22)24(30-23(19)26(3,4)5)32-17-18(2)16-27(32,6)7/h9-13,18-19,22,24H,6-8,14-17,31H2,1-5H3,(H,33,35);10-15,18H,16-17H2,1-9H3,(H2,29,30)(H,32,34);6-13,17-18H,14-16H2,1-5H3,(H2,28,31)(H,32,34);10-15,18H,8-9,16-17H2,1-7H3,(H2,28,29)(H,31,33)/b;14-13+;;12-10+/t19-,22+,24?;3*18-/m0000/s1
InChIKeyTZOYGPVTXVWKQP-BHOJZMATSA-N
MW2140.85 g/mol
LogP18.85
Rot. Bonds28

About N-[(3R)-3-aminocyclohexyl]sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-3,3-dimethylbut-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-pent-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2-methylpropoxy)-4-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-[(3R)-3-aminocyclohexyl]sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-3,3-dimethylbut-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-pent-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2-methylpropoxy)-4-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 161030771) has the molecular formula C111H155FN20O14S4 and a molecular weight of 2140.85 g/mol. Its IUPAC name is N-[(3R)-3-aminocyclohexyl]sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-3,3-dimethylbut-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-pent-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2-methylpropoxy)-4-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-aminocyclohexyl]sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-3,3-dimethylbut-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-pent-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2-methylpropoxy)-4-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID161030771
Molecular FormulaC111H155FN20O14S4
Molecular Weight2140.85 g/mol
Exact Mass2139.09
IUPAC NameN-[(3R)-3-aminocyclohexyl]sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-3,3-dimethylbut-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-pent-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2-methylpropoxy)-4-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)COc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3C[C@@H](C)CC3(C)C)n2)ccn1.CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)C3CCC[C@@H](N)C3)c(N3C[C@@H](C)CC3(C)C)n2)c1.CCC/C=C/c1cc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2C[C@@H](C)CC2(C)C)nc1C(C)(C)C.C[C@@H]1CN(c2nc(C(C)(C)C)c(/C=C/C(C)(C)C)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1
InChIInChI=1S/C29H41FN4O4S.C28H41N5O3S.C27H34N6O4S.C27H39N5O3S/c1-18(2)17-38-23-12-20(11-21(30)13-23)26-10-9-25(27(32-26)34-16-19(3)15-29(34,4)5)28(35)33-39(36,37)24-8-6-7-22(31)14-24;1-18-16-28(8,9)33(17-18)24-20(25(34)32-37(35,36)22-12-10-11-21(29)30-22)15-19(13-14-26(2,3)4)23(31-24)27(5,6)7;1-17(2)16-37-23-13-19(11-12-29-23)21-10-9-20(25(30-21)33-15-18(3)14-27(33,4)5)26(34)32-38(35,36)24-8-6-7-22(28)31-24;1-8-9-10-12-19-15-20(25(33)31-36(34,35)22-14-11-13-21(28)29-22)24(30-23(19)26(3,4)5)32-17-18(2)16-27(32,6)7/h9-13,18-19,22,24H,6-8,14-17,31H2,1-5H3,(H,33,35);10-15,18H,16-17H2,1-9H3,(H2,29,30)(H,32,34);6-13,17-18H,14-16H2,1-5H3,(H2,28,31)(H,32,34);10-15,18H,8-9,16-17H2,1-7H3,(H2,28,29)(H,31,33)/b;14-13+;;12-10+/t19-,22+,24?;3*18-/m0000/s1
InChIKeyTZOYGPVTXVWKQP-BHOJZMATSA-N
XLogP18.85
TPSA491.58 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds28
Heavy Atoms150
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002140.85
LogP ≤ 518.85
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Analyze N-[(3R)-3-aminocyclohexyl]sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-3,3-dimethylbut-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-pent-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2-methylpropoxy)-4-pyridinyl]-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-[(3R)-3-aminocyclohexyl]sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-3,3-dimethylbut-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-pent-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2-methylpropoxy)-4-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(3R)-3-aminocyclohexyl]sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-3,3-dimethylbut-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-pent-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2-methylpropoxy)-4-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 161030771) is N-[(3R)-3-aminocyclohexyl]sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-3,3-dimethylbut-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-pent-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2-methylpropoxy)-4-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3R)-3-aminocyclohexyl]sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-3,3-dimethylbut-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-pent-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2-methylpropoxy)-4-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3R)-3-aminocyclohexyl]sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-3,3-dimethylbut-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-pent-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2-methylpropoxy)-4-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is CC(C)COc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3C[C@@H](C)CC3(C)C)n2)ccn1.CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)C3CCC[C@@H](N)C3)c(N3C[C@@H](C)CC3(C)C)n2)c1.CCC/C=C/c1cc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2C[C@@H](C)CC2(C)C)nc1C(C)(C)C.C[C@@H]1CN(c2nc(C(C)(C)C)c(/C=C/C(C)(C)C)cc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.
What is the InChIKey of N-[(3R)-3-aminocyclohexyl]sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-3,3-dimethylbut-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-pent-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2-methylpropoxy)-4-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is TZOYGPVTXVWKQP-BHOJZMATSA-N. The full InChI is InChI=1S/C29H41FN4O4S.C28H41N5O3S.C27H34N6O4S.C27H39N5O3S/c1-18(2)17-38-23-12-20(11-21(30)13-23)26-10-9-25(27(32-26)34-16-19(3)15-29(34,4)5)28(35)33-39(36,37)24-8-6-7-22(31)14-24;1-18-16-28(8,9)33(17-18)24-20(25(34)32-37(35,36)22-12-10-11-21(29)30-22)15-19(13-14-26(2,3)4)23(31-24)27(5,6)7;1-17(2)16-37-23-13-19(11-12-29-23)21-10-9-20(25(30-21)33-15-18(3)14-27(33,4)5)26(34)32-38(35,36)24-8-6-7-22(28)31-24;1-8-9-10-12-19-15-20(25(33)31-36(34,35)22-14-11-13-21(28)29-22)24(30-23(19)26(3,4)5)32-17-18(2)16-27(32,6)7/h9-13,18-19,22,24H,6-8,14-17,31H2,1-5H3,(H,33,35);10-15,18H,16-17H2,1-9H3,(H2,29,30)(H,32,34);6-13,17-18H,14-16H2,1-5H3,(H2,28,31)(H,32,34);10-15,18H,8-9,16-17H2,1-7H3,(H2,28,29)(H,31,33)/b;14-13+;;12-10+/t19-,22+,24?;3*18-/m0000/s1.
What are the key properties of N-[(3R)-3-aminocyclohexyl]sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-3,3-dimethylbut-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-pent-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2-methylpropoxy)-4-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
N-[(3R)-3-aminocyclohexyl]sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-3,3-dimethylbut-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-pent-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2-methylpropoxy)-4-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 2140.85 g/mol, XLogP of 18.85, 28 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-aminocyclohexyl]sulfonyl-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-3,3-dimethylbut-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-pent-1-enyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2-methylpropoxy)-4-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 161030771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).