N-[(2-amino-3-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen

C41H57ClFN11O6S2 — CID 158969514

IUPACN-[(2-amino-3-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen
SMILESC[C@@H]1CN(c2nc(-c3cccc(F)n3)ccc2C(=O)NS(=O)(=O)c2cccnc2N)C(C)(C)C1.C[C@@H]1CN(c2nc(Cl)ccc2C(=O)NS(=O)(=O)c2cccnc2N)C(C)(C)C1.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H25FN6O3S.C18H22ClN5O3S.5H2/c1-14-12-23(2,3)30(13-14)21-15(9-10-17(28-21)16-6-4-8-19(24)27-16)22(31)29-34(32,33)18-7-5-11-26-20(18)25;1-11-9-18(2,3)24(10-11)16-12(6-7-14(19)22-16)17(25)23-28(26,27)13-5-4-8-21-15(13)20;;;;;/h4-11,14H,12-13H2,1-3H3,(H2,25,26)(H,29,31);4-8,11H,9-10H2,1-3H3,(H2,20,21)(H,23,25);5*1H/t14-;11-;;;;;/m00...../s1
InChIKeyJNPWQBPAFYDIMZ-CFVQFZOISA-N
MW918.56 g/mol
LogP6.69
Rot. Bonds9

About N-[(2-amino-3-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen

N-[(2-amino-3-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen (PubChem CID 158969514) has the molecular formula C41H57ClFN11O6S2 and a molecular weight of 918.56 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-[(2-amino-3-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen
PubChem CID158969514
Molecular FormulaC41H57ClFN11O6S2
Molecular Weight918.56 g/mol
Exact Mass917.36
IUPAC NameN-[(2-amino-3-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen
SMILESC[C@@H]1CN(c2nc(-c3cccc(F)n3)ccc2C(=O)NS(=O)(=O)c2cccnc2N)C(C)(C)C1.C[C@@H]1CN(c2nc(Cl)ccc2C(=O)NS(=O)(=O)c2cccnc2N)C(C)(C)C1.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H25FN6O3S.C18H22ClN5O3S.5H2/c1-14-12-23(2,3)30(13-14)21-15(9-10-17(28-21)16-6-4-8-19(24)27-16)22(31)29-34(32,33)18-7-5-11-26-20(18)25;1-11-9-18(2,3)24(10-11)16-12(6-7-14(19)22-16)17(25)23-28(26,27)13-5-4-8-21-15(13)20;;;;;/h4-11,14H,12-13H2,1-3H3,(H2,25,26)(H,29,31);4-8,11H,9-10H2,1-3H3,(H2,20,21)(H,23,25);5*1H/t14-;11-;;;;;/m00...../s1
InChIKeyJNPWQBPAFYDIMZ-CFVQFZOISA-N
XLogP6.69
TPSA249.45 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500918.56
LogP ≤ 56.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[(2-amino-3-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen with MolForge

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Related Compounds

US20240417387, Example 028
CID 171775318
US20240417387, Example 026
CID 171775335
US20240417387, Example 027
CID 171775406
N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluorophenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121250735
N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-fluorophenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121251390
N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-fluorophenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121252867
N-[(2-amino-3-pyridyl)sulfonyl]-6-(6-fluoro-2-pyridyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121253626
N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-3-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121260795
6-(6-fluoro-2-pyridinyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 130224288
6-(6-fluoro-2-pyridinyl)-N-[(2-fluoro-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 130224761
6-(2-chloro-6-methyl-4-pyridinyl)-N-[(5-fluoro-2-pyridinyl)sulfonyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-carboxamide
CID 137438944
(4S)-4-[3-[[6-[(6-tert-butyl-2-fluoropyridine-3-carbonyl)sulfamoyl]-2-pyridinyl]amino]-3-(4-chloro-2-pyridinyl)propyl]-2,2-dimethylpyrrolidine-1-carboxylic acid
CID 156070588

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen?
The IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen (CID 158969514) is N-[(2-amino-3-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen.
What is the SMILES notation for N-[(2-amino-3-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen?
The canonical SMILES for N-[(2-amino-3-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen is C[C@@H]1CN(c2nc(-c3cccc(F)n3)ccc2C(=O)NS(=O)(=O)c2cccnc2N)C(C)(C)C1.C[C@@H]1CN(c2nc(Cl)ccc2C(=O)NS(=O)(=O)c2cccnc2N)C(C)(C)C1.[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of N-[(2-amino-3-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen?
The InChIKey is JNPWQBPAFYDIMZ-CFVQFZOISA-N. The full InChI is InChI=1S/C23H25FN6O3S.C18H22ClN5O3S.5H2/c1-14-12-23(2,3)30(13-14)21-15(9-10-17(28-21)16-6-4-8-19(24)27-16)22(31)29-34(32,33)18-7-5-11-26-20(18)25;1-11-9-18(2,3)24(10-11)16-12(6-7-14(19)22-16)17(25)23-28(26,27)13-5-4-8-21-15(13)20;;;;;/h4-11,14H,12-13H2,1-3H3,(H2,25,26)(H,29,31);4-8,11H,9-10H2,1-3H3,(H2,20,21)(H,23,25);5*1H/t14-;11-;;;;;/m00...../s1.
What are the key properties of N-[(2-amino-3-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen?
N-[(2-amino-3-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen has a molecular weight of 918.56 g/mol, XLogP of 6.69, 9 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-3-pyridinyl)sulfonyl]-6-chloro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;N-[(2-amino-3-pyridinyl)sulfonyl]-6-(6-fluoro-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 158969514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).