N-[(2-amino-3-pyridinyl)sulfonyl]-6-[6-(diethylamino)-2-pyridinyl]-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

C50H72FN13O6S2 — CID 159595878

IUPACN-[(2-amino-3-pyridinyl)sulfonyl]-6-[6-(diethylamino)-2-pyridinyl]-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
SMILESCCN(CC)c1cccc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)n1.C[C@@H]1CN(c2nc(-c3cccc(F)n3)ccc2C(=O)NS(=O)(=O)c2cccnc2N)C(C)(C)C1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C27H35N7O3S.C23H25FN6O3S.6H2/c1-6-33(7-2)23-12-8-10-20(30-23)21-14-13-19(25(31-21)34-17-18(3)16-27(34,4)5)26(35)32-38(36,37)22-11-9-15-29-24(22)28;1-14-12-23(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;;;;;;/h8-15,18H,6-7,16-17H2,1-5H3,(H2,28,29)(H,32,35);4-11,14H,12-13H2,1-3H3,(H2,25,26)(H,29,31);6*1H/t18-;14-;;;;;;/m00....../s1
InChIKeyMKVHMRJPOPQHPJ-GFJPURAISA-N
MW1034.34 g/mol
LogP8.19
Rot. Bonds13

About N-[(2-amino-3-pyridinyl)sulfonyl]-6-[6-(diethylamino)-2-pyridinyl]-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-[6-(diethylamino)-2-pyridinyl]-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 159595878) has the molecular formula C50H72FN13O6S2 and a molecular weight of 1034.34 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)sulfonyl]-6-[6-(diethylamino)-2-pyridinyl]-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-[6-(diethylamino)-2-pyridinyl]-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 CID159595878
Molecular FormulaC50H72FN13O6S2
Molecular Weight1034.34 g/mol
Exact Mass1033.52
IUPAC NameN-[(2-amino-3-pyridinyl)sulfonyl]-6-[6-(diethylamino)-2-pyridinyl]-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
SMILESCCN(CC)c1cccc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)n1.C[C@@H]1CN(c2nc(-c3cccc(F)n3)ccc2C(=O)NS(=O)(=O)c2cccnc2N)C(C)(C)C1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C27H35N7O3S.C23H25FN6O3S.6H2/c1-6-33(7-2)23-12-8-10-20(30-23)21-14-13-19(25(31-21)34-17-18(3)16-27(34,4)5)26(35)32-38(36,37)22-11-9-15-29-24(22)28;1-14-12-23(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;;;;;;/h8-15,18H,6-7,16-17H2,1-5H3,(H2,28,29)(H,32,35);4-11,14H,12-13H2,1-3H3,(H2,25,26)(H,29,31);6*1H/t18-;14-;;;;;;/m00....../s1
InChIKeyMKVHMRJPOPQHPJ-GFJPURAISA-N
XLogP8.19
TPSA265.58 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001034.34
LogP ≤ 58.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze N-[(2-amino-3-pyridinyl)sulfonyl]-6-[6-(diethylamino)-2-pyridinyl]-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

N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,4-difluorophenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121250462
N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-5-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121250488
N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluorophenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121250735
N-(2-aminopyridin-3-yl)sulfonyl-6-[4-(trifluoromethyl)cyclohexyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121251081
N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-fluoro-4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121251217
N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,4,5-trifluorophenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121251311
N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2-fluorophenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121251390
N-(2-aminopyridin-3-yl)sulfonyl-6-[4-(difluoromethyl)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121251479
N-(2-aminopyridin-3-yl)sulfonyl-6-[4-(trifluoromethyl)phenyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121251755
N-[(2-amino-3-pyridinyl)sulfonyl]-6-(2,3-difluorophenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121251843
N-(2-aminopyridin-3-yl)sulfonyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121251859
N-[(2-amino-3-pyridinyl)sulfonyl]-6-(4-fluoro-3-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121252407

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3-pyridinyl)sulfonyl]-6-[6-(diethylamino)-2-pyridinyl]-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-[6-(diethylamino)-2-pyridinyl]-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 159595878) is N-[(2-amino-3-pyridinyl)sulfonyl]-6-[6-(diethylamino)-2-pyridinyl]-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-[6-(diethylamino)-2-pyridinyl]-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-[6-(diethylamino)-2-pyridinyl]-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 CCN(CC)c1cccc(-c2ccc(C(=O)NS(=O)(=O)c3cccnc3N)c(N3C[C@@H](C)CC3(C)C)n2)n1.C[C@@H]1CN(c2nc(-c3cccc(F)n3)ccc2C(=O)NS(=O)(=O)c2cccnc2N)C(C)(C)C1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of N-[(2-amino-3-pyridinyl)sulfonyl]-6-[6-(diethylamino)-2-pyridinyl]-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 MKVHMRJPOPQHPJ-GFJPURAISA-N. The full InChI is InChI=1S/C27H35N7O3S.C23H25FN6O3S.6H2/c1-6-33(7-2)23-12-8-10-20(30-23)21-14-13-19(25(31-21)34-17-18(3)16-27(34,4)5)26(35)32-38(36,37)22-11-9-15-29-24(22)28;1-14-12-23(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;;;;;;/h8-15,18H,6-7,16-17H2,1-5H3,(H2,28,29)(H,32,35);4-11,14H,12-13H2,1-3H3,(H2,25,26)(H,29,31);6*1H/t18-;14-;;;;;;/m00....../s1.
What are the key properties of N-[(2-amino-3-pyridinyl)sulfonyl]-6-[6-(diethylamino)-2-pyridinyl]-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-[6-(diethylamino)-2-pyridinyl]-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 1034.34 g/mol, XLogP of 8.19, 13 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-3-pyridinyl)sulfonyl]-6-[6-(diethylamino)-2-pyridinyl]-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 159595878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).