N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-2-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-6-(2-methylpropoxy)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C107H134F3N23O15S4 — CID 159655674

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-2-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-6-(2-methylpropoxy)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)cn1.C[C@@H]1CN(c2nc(-c3cccc(OCC(C)(C)C)n3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.C[C@@H]1CN(c2nc(C3=CCC(C(F)(F)F)CC3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.Cc1ccc(OCC(C)C)nc1-c1ccc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2CC(C)CC2(C)C)n1
InChIInChI=1S/2C28H36N6O4S.C26H32N6O4S.C25H30F3N5O3S/c1-18-15-28(5,6)34(16-18)25-19(26(35)33-39(36,37)24-12-8-10-22(29)32-24)13-14-21(31-25)20-9-7-11-23(30-20)38-17-27(2,3)4;1-17(2)16-38-23-13-10-19(4)25(32-23)21-12-11-20(26(30-21)34-15-18(3)14-28(34,5)6)27(35)33-39(36,37)24-9-7-8-22(29)31-24;1-16(2)36-22-11-8-18(14-29-22)20-10-9-19(24(30-20)32-15-17(3)13-26(32,4)5)25(33)31-37(34,35)21-7-6-12-28-23(21)27;1-15-13-24(2,3)33(14-15)22-18(23(34)32-37(35,36)21-6-4-5-20(29)31-21)11-12-19(30-22)16-7-9-17(10-8-16)25(26,27)28/h7-14,18H,15-17H2,1-6H3,(H2,29,32)(H,33,35);7-13,17-18H,14-16H2,1-6H3,(H2,29,31)(H,33,35);6-12,14,16-17H,13,15H2,1-5H3,(H2,27,28)(H,31,33);4-7,11-12,15,17H,8-10,13-14H2,1-3H3,(H2,29,31)(H,32,34)/t18-;;17-;15-,17?/m0.00/s1
InChIKeyMSDHSOHNRIBUSW-FJFKVFROSA-N
MW2167.66 g/mol
LogP16.70
Rot. Bonds27

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-2-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-6-(2-methylpropoxy)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-2-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-6-(2-methylpropoxy)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 159655674) has the molecular formula C107H134F3N23O15S4 and a molecular weight of 2167.66 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-2-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-6-(2-methylpropoxy)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-2-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-6-(2-methylpropoxy)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID159655674
Molecular FormulaC107H134F3N23O15S4
Molecular Weight2167.66 g/mol
Exact Mass2165.93
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-2-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-6-(2-methylpropoxy)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)cn1.C[C@@H]1CN(c2nc(-c3cccc(OCC(C)(C)C)n3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.C[C@@H]1CN(c2nc(C3=CCC(C(F)(F)F)CC3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.Cc1ccc(OCC(C)C)nc1-c1ccc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2CC(C)CC2(C)C)n1
InChIInChI=1S/2C28H36N6O4S.C26H32N6O4S.C25H30F3N5O3S/c1-18-15-28(5,6)34(16-18)25-19(26(35)33-39(36,37)24-12-8-10-22(29)32-24)13-14-21(31-25)20-9-7-11-23(30-20)38-17-27(2,3)4;1-17(2)16-38-23-13-10-19(4)25(32-23)21-12-11-20(26(30-21)34-15-18(3)14-28(34,5)6)27(35)33-39(36,37)24-9-7-8-22(29)31-24;1-16(2)36-22-11-8-18(14-29-22)20-10-9-19(24(30-20)32-15-17(3)13-26(32,4)5)25(33)31-37(34,35)21-7-6-12-28-23(21)27;1-15-13-24(2,3)33(14-15)22-18(23(34)32-37(35,36)21-6-4-5-20(29)31-21)11-12-19(30-22)16-7-9-17(10-8-16)25(26,27)28/h7-14,18H,15-17H2,1-6H3,(H2,29,32)(H,33,35);7-13,17-18H,14-16H2,1-6H3,(H2,29,31)(H,33,35);6-12,14,16-17H,13,15H2,1-5H3,(H2,27,28)(H,31,33);4-7,11-12,15,17H,8-10,13-14H2,1-3H3,(H2,29,31)(H,32,34)/t18-;;17-;15-,17?/m0.00/s1
InChIKeyMSDHSOHNRIBUSW-FJFKVFROSA-N
XLogP16.70
TPSA539.48 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds27
Heavy Atoms152
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002167.66
LogP ≤ 516.70
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

Analyze N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-2-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-6-(2-methylpropoxy)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-2-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-6-(2-methylpropoxy)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-2-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-6-(2-methylpropoxy)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 159655674) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-2-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-6-(2-methylpropoxy)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-2-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-6-(2-methylpropoxy)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-2-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-6-(2-methylpropoxy)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is CC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)cn1.C[C@@H]1CN(c2nc(-c3cccc(OCC(C)(C)C)n3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.C[C@@H]1CN(c2nc(C3=CCC(C(F)(F)F)CC3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.Cc1ccc(OCC(C)C)nc1-c1ccc(C(=O)NS(=O)(=O)c2cccc(N)n2)c(N2CC(C)CC2(C)C)n1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-2-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-6-(2-methylpropoxy)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is MSDHSOHNRIBUSW-FJFKVFROSA-N. The full InChI is InChI=1S/2C28H36N6O4S.C26H32N6O4S.C25H30F3N5O3S/c1-18-15-28(5,6)34(16-18)25-19(26(35)33-39(36,37)24-12-8-10-22(29)32-24)13-14-21(31-25)20-9-7-11-23(30-20)38-17-27(2,3)4;1-17(2)16-38-23-13-10-19(4)25(32-23)21-12-11-20(26(30-21)34-15-18(3)14-28(34,5)6)27(35)33-39(36,37)24-9-7-8-22(29)31-24;1-16(2)36-22-11-8-18(14-29-22)20-10-9-19(24(30-20)32-15-17(3)13-26(32,4)5)25(33)31-37(34,35)21-7-6-12-28-23(21)27;1-15-13-24(2,3)33(14-15)22-18(23(34)32-37(35,36)21-6-4-5-20(29)31-21)11-12-19(30-22)16-7-9-17(10-8-16)25(26,27)28/h7-14,18H,15-17H2,1-6H3,(H2,29,32)(H,33,35);7-13,17-18H,14-16H2,1-6H3,(H2,29,31)(H,33,35);6-12,14,16-17H,13,15H2,1-5H3,(H2,27,28)(H,31,33);4-7,11-12,15,17H,8-10,13-14H2,1-3H3,(H2,29,31)(H,32,34)/t18-;;17-;15-,17?/m0.00/s1.
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-2-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-6-(2-methylpropoxy)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-2-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-6-(2-methylpropoxy)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 2167.66 g/mol, XLogP of 16.70, 27 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(2,2-dimethylpropoxy)-2-pyridinyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-6-(2-methylpropoxy)-2-pyridinyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-propan-2-yloxy-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[4-(trifluoromethyl)cyclohexen-1-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 159655674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).