N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(4-fluorophenyl)pyridine-3-carboxamide

C23H24FN5O3S — CID 121250565

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(4-fluorophenyl)pyridine-3-carboxamide
SMILESC[C@@H]1CC[C@H](C)N1c1nc(-c2ccc(F)cc2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1
InChIInChI=1S/C23H24FN5O3S/c1-14-6-7-15(2)29(14)22-18(12-13-19(26-22)16-8-10-17(24)11-9-16)23(30)28-33(31,32)21-5-3-4-20(25)27-21/h3-5,8-15H,6-7H2,1-2H3,(H2,25,27)(H,28,30)/t14-,15+
InChIKeyYAADOWHMCUWNAT-GASCZTMLSA-N
MW469.54 g/mol
LogP3.36
Rot. Bonds5

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(4-fluorophenyl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(4-fluorophenyl)pyridine-3-carboxamide (PubChem CID 121250565) has the molecular formula C23H24FN5O3S and a molecular weight of 469.54 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(4-fluorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(4-fluorophenyl)pyridine-3-carboxamide
PubChem CID121250565
Molecular FormulaC23H24FN5O3S
Molecular Weight469.54 g/mol
Exact Mass469.16
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(4-fluorophenyl)pyridine-3-carboxamide
SMILESC[C@@H]1CC[C@H](C)N1c1nc(-c2ccc(F)cc2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1
InChIInChI=1S/C23H24FN5O3S/c1-14-6-7-15(2)29(14)22-18(12-13-19(26-22)16-8-10-17(24)11-9-16)23(30)28-33(31,32)21-5-3-4-20(25)27-21/h3-5,8-15H,6-7H2,1-2H3,(H2,25,27)(H,28,30)/t14-,15+
InChIKeyYAADOWHMCUWNAT-GASCZTMLSA-N
XLogP3.36
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-(4-fluorophenyl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(4-fluorophenyl)pyridine-3-carboxamide (CID 121250565) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(4-fluorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(4-fluorophenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(4-fluorophenyl)pyridine-3-carboxamide is C[C@@H]1CC[C@H](C)N1c1nc(-c2ccc(F)cc2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(4-fluorophenyl)pyridine-3-carboxamide?
The InChIKey is YAADOWHMCUWNAT-GASCZTMLSA-N. The full InChI is InChI=1S/C23H24FN5O3S/c1-14-6-7-15(2)29(14)22-18(12-13-19(26-22)16-8-10-17(24)11-9-16)23(30)28-33(31,32)21-5-3-4-20(25)27-21/h3-5,8-15H,6-7H2,1-2H3,(H2,25,27)(H,28,30)/t14-,15+.
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(4-fluorophenyl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-6-(4-fluorophenyl)pyridine-3-carboxamide has a molecular weight of 469.54 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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-(4-fluorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 121250565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).