N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-methoxy-2-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide

C100H116F3N21O17S4 — CID 160676764

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-methoxy-2-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide
SMILESCC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCCC3C)n2)c1.CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccn[nH]3)c(N3CCCC3C)n2)c1.COC[C@H]1CCCN1c1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1.COc1cccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3[C@H](C)CC[C@@H]3C)n2)n1
InChIInChI=1S/C27H32FN5O5S.C26H30FN5O4S.C24H28FN5O4S.C23H26N6O4S/c1-17(2)15-38-21-13-18(12-19(28)14-21)23-10-9-22(26(30-23)33-11-5-6-20(33)16-37-3)27(34)32-39(35,36)25-8-4-7-24(29)31-25;1-16(2)15-36-20-13-18(12-19(27)14-20)22-10-9-21(25(29-22)32-11-5-6-17(32)3)26(33)31-37(34,35)24-8-4-7-23(28)30-24;1-15(2)14-34-19-12-17(11-18(25)13-19)21-7-6-20(23(27-21)30-10-4-5-16(30)3)24(31)29-35(32,33)22-8-9-26-28-22;1-14-10-11-15(2)29(14)22-16(12-13-18(26-22)17-6-4-8-20(25-17)33-3)23(30)28-34(31,32)21-9-5-7-19(24)27-21/h4,7-10,12-14,17,20H,5-6,11,15-16H2,1-3H3,(H2,29,31)(H,32,34);4,7-10,12-14,16-17H,5-6,11,15H2,1-3H3,(H2,28,30)(H,31,33);6-9,11-13,15-16H,4-5,10,14H2,1-3H3,(H,26,28)(H,29,31);4-9,12-15H,10-11H2,1-3H3,(H2,24,27)(H,28,30)/t20-;;;14-,15+/m1.../s1
InChIKeyRNQATZCQZDSEAW-CCZVJHHYSA-N
MW2069.42 g/mol
LogP14.02
Rot. Bonds32

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-methoxy-2-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-methoxy-2-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide (PubChem CID 160676764) has the molecular formula C100H116F3N21O17S4 and a molecular weight of 2069.42 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-methoxy-2-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-methoxy-2-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide
PubChem CID160676764
Molecular FormulaC100H116F3N21O17S4
Molecular Weight2069.42 g/mol
Exact Mass2067.77
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-methoxy-2-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide
SMILESCC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCCC3C)n2)c1.CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccn[nH]3)c(N3CCCC3C)n2)c1.COC[C@H]1CCCN1c1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1.COc1cccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3[C@H](C)CC[C@@H]3C)n2)n1
InChIInChI=1S/C27H32FN5O5S.C26H30FN5O4S.C24H28FN5O4S.C23H26N6O4S/c1-17(2)15-38-21-13-18(12-19(28)14-21)23-10-9-22(26(30-23)33-11-5-6-20(33)16-37-3)27(34)32-39(35,36)25-8-4-7-24(29)31-25;1-16(2)15-36-20-13-18(12-19(27)14-20)22-10-9-21(25(29-22)32-11-5-6-17(32)3)26(33)31-37(34,35)24-8-4-7-23(28)30-24;1-15(2)14-34-19-12-17(11-18(25)13-19)21-7-6-20(23(27-21)30-10-4-5-16(30)3)24(31)29-35(32,33)22-8-9-26-28-22;1-14-10-11-15(2)29(14)22-16(12-13-18(26-22)17-6-4-8-20(25-17)33-3)23(30)28-34(31,32)21-9-5-7-19(24)27-21/h4,7-10,12-14,17,20H,5-6,11,15-16H2,1-3H3,(H2,29,31)(H,32,34);4,7-10,12-14,16-17H,5-6,11,15H2,1-3H3,(H2,28,30)(H,31,33);6-9,11-13,15-16H,4-5,10,14H2,1-3H3,(H,26,28)(H,29,31);4-9,12-15H,10-11H2,1-3H3,(H2,24,27)(H,28,30)/t20-;;;14-,15+/m1.../s1
InChIKeyRNQATZCQZDSEAW-CCZVJHHYSA-N
XLogP14.02
TPSA521.93 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds32
Heavy Atoms145
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002069.42
LogP ≤ 514.02
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1033

Analyze N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-methoxy-2-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-methoxy-2-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-methoxy-2-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide (CID 160676764) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-methoxy-2-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-methoxy-2-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-methoxy-2-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide is CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCCC3C)n2)c1.CC(C)COc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3ccn[nH]3)c(N3CCCC3C)n2)c1.COC[C@H]1CCCN1c1nc(-c2cc(F)cc(OCC(C)C)c2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1.COc1cccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3[C@H](C)CC[C@@H]3C)n2)n1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-methoxy-2-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide?
The InChIKey is RNQATZCQZDSEAW-CCZVJHHYSA-N. The full InChI is InChI=1S/C27H32FN5O5S.C26H30FN5O4S.C24H28FN5O4S.C23H26N6O4S/c1-17(2)15-38-21-13-18(12-19(28)14-21)23-10-9-22(26(30-23)33-11-5-6-20(33)16-37-3)27(34)32-39(35,36)25-8-4-7-24(29)31-25;1-16(2)15-36-20-13-18(12-19(27)14-20)22-10-9-21(25(29-22)32-11-5-6-17(32)3)26(33)31-37(34,35)24-8-4-7-23(28)30-24;1-15(2)14-34-19-12-17(11-18(25)13-19)21-7-6-20(23(27-21)30-10-4-5-16(30)3)24(31)29-35(32,33)22-8-9-26-28-22;1-14-10-11-15(2)29(14)22-16(12-13-18(26-22)17-6-4-8-20(25-17)33-3)23(30)28-34(31,32)21-9-5-7-19(24)27-21/h4,7-10,12-14,17,20H,5-6,11,15-16H2,1-3H3,(H2,29,31)(H,32,34);4,7-10,12-14,16-17H,5-6,11,15H2,1-3H3,(H2,28,30)(H,31,33);6-9,11-13,15-16H,4-5,10,14H2,1-3H3,(H,26,28)(H,29,31);4-9,12-15H,10-11H2,1-3H3,(H2,24,27)(H,28,30)/t20-;;;14-,15+/m1.../s1.
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-methoxy-2-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-methoxy-2-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide has a molecular weight of 2069.42 g/mol, XLogP of 14.02, 32 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]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(6-methoxy-2-pyridinyl)pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyridine-3-carboxamide;N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)pyridine-3-carboxamide;6-[3-fluoro-5-(2-methylpropoxy)phenyl]-2-(2-methylpyrrolidin-1-yl)-N-(1H-pyrazol-5-ylsulfonyl)pyridine-3-carboxamide is sourced from PubChem (CID 160676764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).