N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methoxy-2,6-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-2-(7-methyl-5-azaspiro[3.4]octan-5-yl)-6-[3-(2-methylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-(3,4-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;6-(2-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C103H128FN21O16S4 — CID 157174351

IUPACN-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methoxy-2,6-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-2-(7-methyl-5-azaspiro[3.4]octan-5-yl)-6-[3-(2-methylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-(3,4-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;6-(2-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)COc1ccn(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3CC(C)CC34CCC4)n2)n1.COc1cc(C)c(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)c(C)c1.COc1ccc(F)c(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(N3C[C@@H](C)CC3(C)C)n2)c1.Cc1ccc(-c2ccc(C(=O)NS(=O)(=O)N3CC[C@H](N)C3)c(N3C[C@@H](C)CC3(C)C)n2)cc1C
InChIInChI=1S/C27H33N5O4S.C26H33N7O4S.C25H27FN4O5S.C25H35N5O3S/c1-16-14-27(4,5)32(15-16)25-20(26(33)31-37(34,35)22-8-7-11-29-24(22)28)9-10-21(30-25)23-17(2)12-19(36-6)13-18(23)3;1-17(2)16-37-22-9-13-33(30-22)21-8-7-19(24(29-21)32-15-18(3)14-26(32)10-5-11-26)25(34)31-38(35,36)20-6-4-12-28-23(20)27;1-15-13-25(2,3)30(14-15)22-17(23(31)29-36(33,34)21-6-5-11-27-24(21)32)8-10-20(28-22)18-12-16(35-4)7-9-19(18)26;1-16-13-25(4,5)30(14-16)23-21(24(31)28-34(32,33)29-11-10-20(26)15-29)8-9-22(27-23)19-7-6-17(2)18(3)12-19/h7-13,16H,14-15H2,1-6H3,(H2,28,29)(H,31,33);4,6-9,12-13,17-18H,5,10-11,14-16H2,1-3H3,(H2,27,28)(H,31,34);5-12,15H,13-14H2,1-4H3,(H,27,32)(H,29,31);6-9,12,16,20H,10-11,13-15,26H2,1-5H3,(H,28,31)/t16-;;15-;16-,20-/m0.00/s1
InChIKeyANVHZTYIIPJFDP-PAULSDMWSA-N
MW2063.55 g/mol
LogP13.59
Rot. Bonds25

About N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methoxy-2,6-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-2-(7-methyl-5-azaspiro[3.4]octan-5-yl)-6-[3-(2-methylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-(3,4-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;6-(2-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methoxy-2,6-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-2-(7-methyl-5-azaspiro[3.4]octan-5-yl)-6-[3-(2-methylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-(3,4-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;6-(2-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 157174351) has the molecular formula C103H128FN21O16S4 and a molecular weight of 2063.55 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methoxy-2,6-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-2-(7-methyl-5-azaspiro[3.4]octan-5-yl)-6-[3-(2-methylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-(3,4-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;6-(2-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methoxy-2,6-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-2-(7-methyl-5-azaspiro[3.4]octan-5-yl)-6-[3-(2-methylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-(3,4-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;6-(2-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID157174351
Molecular FormulaC103H128FN21O16S4
Molecular Weight2063.55 g/mol
Exact Mass2061.87
IUPAC NameN-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methoxy-2,6-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-2-(7-methyl-5-azaspiro[3.4]octan-5-yl)-6-[3-(2-methylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-(3,4-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;6-(2-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCC(C)COc1ccn(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3CC(C)CC34CCC4)n2)n1.COc1cc(C)c(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)c(C)c1.COc1ccc(F)c(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(N3C[C@@H](C)CC3(C)C)n2)c1.Cc1ccc(-c2ccc(C(=O)NS(=O)(=O)N3CC[C@H](N)C3)c(N3C[C@@H](C)CC3(C)C)n2)cc1C
InChIInChI=1S/C27H33N5O4S.C26H33N7O4S.C25H27FN4O5S.C25H35N5O3S/c1-16-14-27(4,5)32(15-16)25-20(26(33)31-37(34,35)22-8-7-11-29-24(22)28)9-10-21(30-25)23-17(2)12-19(36-6)13-18(23)3;1-17(2)16-37-22-9-13-33(30-22)21-8-7-19(24(29-21)32-15-18(3)14-26(32)10-5-11-26)25(34)31-38(35,36)20-6-4-12-28-23(20)27;1-15-13-25(2,3)30(14-15)22-17(23(31)29-36(33,34)21-6-5-11-27-24(21)32)8-10-20(28-22)18-12-16(35-4)7-9-19(18)26;1-16-13-25(4,5)30(14-16)23-21(24(31)28-34(32,33)29-11-10-20(26)15-29)8-9-22(27-23)19-7-6-17(2)18(3)12-19/h7-13,16H,14-15H2,1-6H3,(H2,28,29)(H,31,33);4,6-9,12-13,17-18H,5,10-11,14-16H2,1-3H3,(H2,27,28)(H,31,34);5-12,15H,13-14H2,1-4H3,(H,27,32)(H,29,31);6-9,12,16,20H,10-11,13-15,26H2,1-5H3,(H,28,31)/t16-;;15-;16-,20-/m0.00/s1
InChIKeyANVHZTYIIPJFDP-PAULSDMWSA-N
XLogP13.59
TPSA502.93 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds25
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002063.55
LogP ≤ 513.59
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Analyze N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methoxy-2,6-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-2-(7-methyl-5-azaspiro[3.4]octan-5-yl)-6-[3-(2-methylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-(3,4-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;6-(2-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)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-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methoxy-2,6-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-2-(7-methyl-5-azaspiro[3.4]octan-5-yl)-6-[3-(2-methylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-(3,4-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;6-(2-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methoxy-2,6-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-2-(7-methyl-5-azaspiro[3.4]octan-5-yl)-6-[3-(2-methylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-(3,4-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;6-(2-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 157174351) is N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methoxy-2,6-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-2-(7-methyl-5-azaspiro[3.4]octan-5-yl)-6-[3-(2-methylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-(3,4-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;6-(2-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methoxy-2,6-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-2-(7-methyl-5-azaspiro[3.4]octan-5-yl)-6-[3-(2-methylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-(3,4-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;6-(2-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methoxy-2,6-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-2-(7-methyl-5-azaspiro[3.4]octan-5-yl)-6-[3-(2-methylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-(3,4-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;6-(2-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is CC(C)COc1ccn(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3CC(C)CC34CCC4)n2)n1.COc1cc(C)c(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)c(C)c1.COc1ccc(F)c(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(N3C[C@@H](C)CC3(C)C)n2)c1.Cc1ccc(-c2ccc(C(=O)NS(=O)(=O)N3CC[C@H](N)C3)c(N3C[C@@H](C)CC3(C)C)n2)cc1C.
What is the InChIKey of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methoxy-2,6-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-2-(7-methyl-5-azaspiro[3.4]octan-5-yl)-6-[3-(2-methylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-(3,4-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;6-(2-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is ANVHZTYIIPJFDP-PAULSDMWSA-N. The full InChI is InChI=1S/C27H33N5O4S.C26H33N7O4S.C25H27FN4O5S.C25H35N5O3S/c1-16-14-27(4,5)32(15-16)25-20(26(33)31-37(34,35)22-8-7-11-29-24(22)28)9-10-21(30-25)23-17(2)12-19(36-6)13-18(23)3;1-17(2)16-37-22-9-13-33(30-22)21-8-7-19(24(29-21)32-15-18(3)14-26(32)10-5-11-26)25(34)31-38(35,36)20-6-4-12-28-23(20)27;1-15-13-25(2,3)30(14-15)22-17(23(31)29-36(33,34)21-6-5-11-27-24(21)32)8-10-20(28-22)18-12-16(35-4)7-9-19(18)26;1-16-13-25(4,5)30(14-16)23-21(24(31)28-34(32,33)29-11-10-20(26)15-29)8-9-22(27-23)19-7-6-17(2)18(3)12-19/h7-13,16H,14-15H2,1-6H3,(H2,28,29)(H,31,33);4,6-9,12-13,17-18H,5,10-11,14-16H2,1-3H3,(H2,27,28)(H,31,34);5-12,15H,13-14H2,1-4H3,(H,27,32)(H,29,31);6-9,12,16,20H,10-11,13-15,26H2,1-5H3,(H,28,31)/t16-;;15-;16-,20-/m0.00/s1.
What are the key properties of N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methoxy-2,6-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-2-(7-methyl-5-azaspiro[3.4]octan-5-yl)-6-[3-(2-methylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-(3,4-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;6-(2-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methoxy-2,6-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-2-(7-methyl-5-azaspiro[3.4]octan-5-yl)-6-[3-(2-methylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-(3,4-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;6-(2-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 2063.55 g/mol, XLogP of 13.59, 25 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-methoxy-2,6-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-2-(7-methyl-5-azaspiro[3.4]octan-5-yl)-6-[3-(2-methylpropoxy)pyrazol-1-yl]pyridine-3-carboxamide;N-[(3S)-3-aminopyrrolidin-1-yl]sulfonyl-6-(3,4-dimethylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;6-(2-fluoro-5-methoxyphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 157174351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).