N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-tert-butyl-5-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-cyclopropylethyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-yl)pyridine-3-carboxamide

C109H141N21O16S4 — CID 158488034

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-tert-butyl-5-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-cyclopropylethyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-yl)pyridine-3-carboxamide
SMILESCC(C)Oc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3C[C@@H](C)CC3(C)C)n2)cc(C(C)(C)C)c1.CC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3[C@H](C)CC[C@@H]3C)n2)cn1.C[C@@H]1CN(c2nc(CCC3CC3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.Cc1cc(OCC(C)C)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CC(C)(C)OCC3(C)C)n2)c1
InChIInChI=1S/C31H41N5O4S.C30H39N5O5S.C25H30N6O4S.C23H31N5O3S/c1-19(2)40-23-15-21(14-22(16-23)30(4,5)6)25-13-12-24(28(33-25)36-18-20(3)17-31(36,7)8)29(37)35-41(38,39)27-11-9-10-26(32)34-27;1-19(2)16-39-22-14-20(3)13-21(15-22)24-12-11-23(27(32-24)35-17-30(6,7)40-18-29(35,4)5)28(36)34-41(37,38)26-10-8-9-25(31)33-26;1-15(2)35-22-13-10-18(14-27-22)20-12-11-19(24(28-20)31-16(3)8-9-17(31)4)25(32)30-36(33,34)23-7-5-6-21(26)29-23;1-15-13-23(2,3)28(14-15)21-18(12-11-17(25-21)10-9-16-7-8-16)22(29)27-32(30,31)20-6-4-5-19(24)26-20/h9-16,19-20H,17-18H2,1-8H3,(H2,32,34)(H,35,37);8-15,19H,16-18H2,1-7H3,(H2,31,33)(H,34,36);5-7,10-17H,8-9H2,1-4H3,(H2,26,29)(H,30,32);4-6,11-12,15-16H,7-10,13-14H2,1-3H3,(H2,24,26)(H,27,29)/t20-;;16-,17+;15-/m0..0/s1
InChIKeyHIIPGYLNAHQBGB-KDDWRBNNSA-N
MW2129.73 g/mol
LogP16.68
Rot. Bonds29

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-tert-butyl-5-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-cyclopropylethyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-yl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-tert-butyl-5-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-cyclopropylethyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-yl)pyridine-3-carboxamide (PubChem CID 158488034) has the molecular formula C109H141N21O16S4 and a molecular weight of 2129.73 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-tert-butyl-5-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-cyclopropylethyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-tert-butyl-5-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-cyclopropylethyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-yl)pyridine-3-carboxamide
PubChem CID158488034
Molecular FormulaC109H141N21O16S4
Molecular Weight2129.73 g/mol
Exact Mass2127.97
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-tert-butyl-5-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-cyclopropylethyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-yl)pyridine-3-carboxamide
SMILESCC(C)Oc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3C[C@@H](C)CC3(C)C)n2)cc(C(C)(C)C)c1.CC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3[C@H](C)CC[C@@H]3C)n2)cn1.C[C@@H]1CN(c2nc(CCC3CC3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.Cc1cc(OCC(C)C)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CC(C)(C)OCC3(C)C)n2)c1
InChIInChI=1S/C31H41N5O4S.C30H39N5O5S.C25H30N6O4S.C23H31N5O3S/c1-19(2)40-23-15-21(14-22(16-23)30(4,5)6)25-13-12-24(28(33-25)36-18-20(3)17-31(36,7)8)29(37)35-41(38,39)27-11-9-10-26(32)34-27;1-19(2)16-39-22-14-20(3)13-21(15-22)24-12-11-23(27(32-24)35-17-30(6,7)40-18-29(35,4)5)28(36)34-41(37,38)26-10-8-9-25(31)33-26;1-15(2)35-22-13-10-18(14-27-22)20-12-11-19(24(28-20)31-16(3)8-9-17(31)4)25(32)30-36(33,34)23-7-5-6-21(26)29-23;1-15-13-23(2,3)28(14-15)21-18(12-11-17(25-21)10-9-16-7-8-16)22(29)27-32(30,31)20-6-4-5-19(24)26-20/h9-16,19-20H,17-18H2,1-8H3,(H2,32,34)(H,35,37);8-15,19H,16-18H2,1-7H3,(H2,31,33)(H,34,36);5-7,10-17H,8-9H2,1-4H3,(H2,26,29)(H,30,32);4-6,11-12,15-16H,7-10,13-14H2,1-3H3,(H2,24,26)(H,27,29)/t20-;;16-,17+;15-/m0..0/s1
InChIKeyHIIPGYLNAHQBGB-KDDWRBNNSA-N
XLogP16.68
TPSA522.93 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds29
Heavy Atoms150
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002129.73
LogP ≤ 516.68
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1033

Analyze N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-tert-butyl-5-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-cyclopropylethyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-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-(3-tert-butyl-5-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-cyclopropylethyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-tert-butyl-5-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-cyclopropylethyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-yl)pyridine-3-carboxamide (CID 158488034) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-tert-butyl-5-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-cyclopropylethyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-tert-butyl-5-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-cyclopropylethyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-tert-butyl-5-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-cyclopropylethyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-yl)pyridine-3-carboxamide is CC(C)Oc1cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3C[C@@H](C)CC3(C)C)n2)cc(C(C)(C)C)c1.CC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3[C@H](C)CC[C@@H]3C)n2)cn1.C[C@@H]1CN(c2nc(CCC3CC3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C(C)(C)C1.Cc1cc(OCC(C)C)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CC(C)(C)OCC3(C)C)n2)c1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-tert-butyl-5-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-cyclopropylethyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-yl)pyridine-3-carboxamide?
The InChIKey is HIIPGYLNAHQBGB-KDDWRBNNSA-N. The full InChI is InChI=1S/C31H41N5O4S.C30H39N5O5S.C25H30N6O4S.C23H31N5O3S/c1-19(2)40-23-15-21(14-22(16-23)30(4,5)6)25-13-12-24(28(33-25)36-18-20(3)17-31(36,7)8)29(37)35-41(38,39)27-11-9-10-26(32)34-27;1-19(2)16-39-22-14-20(3)13-21(15-22)24-12-11-23(27(32-24)35-17-30(6,7)40-18-29(35,4)5)28(36)34-41(37,38)26-10-8-9-25(31)33-26;1-15(2)35-22-13-10-18(14-27-22)20-12-11-19(24(28-20)31-16(3)8-9-17(31)4)25(32)30-36(33,34)23-7-5-6-21(26)29-23;1-15-13-23(2,3)28(14-15)21-18(12-11-17(25-21)10-9-16-7-8-16)22(29)27-32(30,31)20-6-4-5-19(24)26-20/h9-16,19-20H,17-18H2,1-8H3,(H2,32,34)(H,35,37);8-15,19H,16-18H2,1-7H3,(H2,31,33)(H,34,36);5-7,10-17H,8-9H2,1-4H3,(H2,26,29)(H,30,32);4-6,11-12,15-16H,7-10,13-14H2,1-3H3,(H2,24,26)(H,27,29)/t20-;;16-,17+;15-/m0..0/s1.
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-tert-butyl-5-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-cyclopropylethyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-yl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-tert-butyl-5-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-cyclopropylethyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-yl)pyridine-3-carboxamide has a molecular weight of 2129.73 g/mol, XLogP of 16.68, 29 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(3-tert-butyl-5-propan-2-yloxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-cyclopropylethyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-methyl-5-(2-methylpropoxy)phenyl]-2-(2,2,5,5-tetramethylmorpholin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 158488034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).