6-chloro-5-fluoro-N-pyridin-3-ylsulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C18H20ClFN4O3S — CID 135194127

IUPAC6-chloro-5-fluoro-N-pyridin-3-ylsulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2nc(Cl)c(F)cc2C(=O)NS(=O)(=O)c2cccnc2)C(C)(C)C1
InChIInChI=1S/C18H20ClFN4O3S/c1-11-8-18(2,3)24(10-11)16-13(7-14(20)15(19)22-16)17(25)23-28(26,27)12-5-4-6-21-9-12/h4-7,9,11H,8,10H2,1-3H3,(H,23,25)/t11-/m0/s1
InChIKeyWZFZRBKFUVVQMV-NSHDSACASA-N
MW426.90 g/mol
LogP3.01
Rot. Bonds4

About 6-chloro-5-fluoro-N-pyridin-3-ylsulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

6-chloro-5-fluoro-N-pyridin-3-ylsulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 135194127) has the molecular formula C18H20ClFN4O3S and a molecular weight of 426.90 g/mol. Its IUPAC name is 6-chloro-5-fluoro-N-pyridin-3-ylsulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-5-fluoro-N-pyridin-3-ylsulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID135194127
Molecular FormulaC18H20ClFN4O3S
Molecular Weight426.90 g/mol
Exact Mass426.09
IUPAC Name6-chloro-5-fluoro-N-pyridin-3-ylsulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2nc(Cl)c(F)cc2C(=O)NS(=O)(=O)c2cccnc2)C(C)(C)C1
InChIInChI=1S/C18H20ClFN4O3S/c1-11-8-18(2,3)24(10-11)16-13(7-14(20)15(19)22-16)17(25)23-28(26,27)12-5-4-6-21-9-12/h4-7,9,11H,8,10H2,1-3H3,(H,23,25)/t11-/m0/s1
InChIKeyWZFZRBKFUVVQMV-NSHDSACASA-N
XLogP3.01
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-chlorophenoxy)phenyl]sulfonyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 139458799
N-[(6-amino-2-pyridinyl)sulfonyl]-2-chloro-4-(2,2,4-trimethylpyrrolidin-1-yl)pyrimidine-5-carboxamide
CID 121252274
N-[[6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121252018
N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121253493
6-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-5-trimethylsilylpyridine-3-carboxamide
CID 155784187
N-(benzenesulfonyl)-6-(3-hydroxypyrazol-3-yl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 166756834
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(1-cyclohexylethoxy)-5-fluoro-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;molecular hydrogen
CID 160660401
N-[(2-amino-3-pyridinyl)sulfonyl]-6-(3-fluoro-2-hydroxyphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 137054078
N-(benzenesulfonyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]-6-(3-trimethylsilylpyrazol-1-yl)pyridine-3-carboxamide
CID 156680988
N-(benzenesulfonyl)-6-(6-methoxy-2-pyridinyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121252527
N-[(2-methoxy-3-pyridinyl)sulfonyl]-7-methyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]quinoline-3-carboxamide
CID 121252772
N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-silyl-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 159069232

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-N-pyridin-3-ylsulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-5-fluoro-N-pyridin-3-ylsulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 135194127) is 6-chloro-5-fluoro-N-pyridin-3-ylsulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-5-fluoro-N-pyridin-3-ylsulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-5-fluoro-N-pyridin-3-ylsulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is C[C@@H]1CN(c2nc(Cl)c(F)cc2C(=O)NS(=O)(=O)c2cccnc2)C(C)(C)C1.
What is the InChIKey of 6-chloro-5-fluoro-N-pyridin-3-ylsulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is WZFZRBKFUVVQMV-NSHDSACASA-N. The full InChI is InChI=1S/C18H20ClFN4O3S/c1-11-8-18(2,3)24(10-11)16-13(7-14(20)15(19)22-16)17(25)23-28(26,27)12-5-4-6-21-9-12/h4-7,9,11H,8,10H2,1-3H3,(H,23,25)/t11-/m0/s1.
What are the key properties of 6-chloro-5-fluoro-N-pyridin-3-ylsulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
6-chloro-5-fluoro-N-pyridin-3-ylsulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 426.90 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-N-pyridin-3-ylsulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 135194127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).