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

C23H23F2N5O3S — CID 130224761

IUPAC6-(6-fluoro-2-pyridinyl)-N-[(2-fluoro-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2nc(-c3cccc(F)n3)ccc2C(=O)NS(=O)(=O)c2cccnc2F)C(C)(C)C1
InChIInChI=1S/C23H23F2N5O3S/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/h4-11,14H,12-13H2,1-3H3,(H,29,31)/t14-/m0/s1
InChIKeyREHLHFCIPYSMII-AWEZNQCLSA-N
MW487.53 g/mol
LogP3.56
Rot. Bonds5

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

6-(6-fluoro-2-pyridinyl)-N-[(2-fluoro-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 130224761) has the molecular formula C23H23F2N5O3S and a molecular weight of 487.53 g/mol. Its IUPAC name is 6-(6-fluoro-2-pyridinyl)-N-[(2-fluoro-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(6-fluoro-2-pyridinyl)-N-[(2-fluoro-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID130224761
Molecular FormulaC23H23F2N5O3S
Molecular Weight487.53 g/mol
Exact Mass487.15
IUPAC Name6-(6-fluoro-2-pyridinyl)-N-[(2-fluoro-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CN(c2nc(-c3cccc(F)n3)ccc2C(=O)NS(=O)(=O)c2cccnc2F)C(C)(C)C1
InChIInChI=1S/C23H23F2N5O3S/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/h4-11,14H,12-13H2,1-3H3,(H,29,31)/t14-/m0/s1
InChIKeyREHLHFCIPYSMII-AWEZNQCLSA-N
XLogP3.56
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoro-2-pyridinyl)-N-[(2-fluoro-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(6-fluoro-2-pyridinyl)-N-[(2-fluoro-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 130224761) is 6-(6-fluoro-2-pyridinyl)-N-[(2-fluoro-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(6-fluoro-2-pyridinyl)-N-[(2-fluoro-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(6-fluoro-2-pyridinyl)-N-[(2-fluoro-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is C[C@@H]1CN(c2nc(-c3cccc(F)n3)ccc2C(=O)NS(=O)(=O)c2cccnc2F)C(C)(C)C1.
What is the InChIKey of 6-(6-fluoro-2-pyridinyl)-N-[(2-fluoro-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is REHLHFCIPYSMII-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H23F2N5O3S/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/h4-11,14H,12-13H2,1-3H3,(H,29,31)/t14-/m0/s1.
What are the key properties of 6-(6-fluoro-2-pyridinyl)-N-[(2-fluoro-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
6-(6-fluoro-2-pyridinyl)-N-[(2-fluoro-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 487.53 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoro-2-pyridinyl)-N-[(2-fluoro-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 130224761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).