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

C24H26FN5O3S — CID 130224288

IUPAC6-(6-fluoro-2-pyridinyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCc1ncccc1S(=O)(=O)NC(=O)c1ccc(-c2cccc(F)n2)nc1N1C[C@@H](C)CC1(C)C
InChIInChI=1S/C24H26FN5O3S/c1-15-13-24(3,4)30(14-15)22-17(10-11-19(28-22)18-7-5-9-21(25)27-18)23(31)29-34(32,33)20-8-6-12-26-16(20)2/h5-12,15H,13-14H2,1-4H3,(H,29,31)/t15-/m0/s1
InChIKeyRGQIPCLVQLOAFZ-HNNXBMFYSA-N
MW483.57 g/mol
LogP3.73
Rot. Bonds5

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

6-(6-fluoro-2-pyridinyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 130224288) has the molecular formula C24H26FN5O3S and a molecular weight of 483.57 g/mol. Its IUPAC name is 6-(6-fluoro-2-pyridinyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(6-fluoro-2-pyridinyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID130224288
Molecular FormulaC24H26FN5O3S
Molecular Weight483.57 g/mol
Exact Mass483.17
IUPAC Name6-(6-fluoro-2-pyridinyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCc1ncccc1S(=O)(=O)NC(=O)c1ccc(-c2cccc(F)n2)nc1N1C[C@@H](C)CC1(C)C
InChIInChI=1S/C24H26FN5O3S/c1-15-13-24(3,4)30(14-15)22-17(10-11-19(28-22)18-7-5-9-21(25)27-18)23(31)29-34(32,33)20-8-6-12-26-16(20)2/h5-12,15H,13-14H2,1-4H3,(H,29,31)/t15-/m0/s1
InChIKeyRGQIPCLVQLOAFZ-HNNXBMFYSA-N
XLogP3.73
TPSA105.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.57
LogP ≤ 53.73
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-methyl-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-methyl-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 130224288) is 6-(6-fluoro-2-pyridinyl)-N-[(2-methyl-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-methyl-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-methyl-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is Cc1ncccc1S(=O)(=O)NC(=O)c1ccc(-c2cccc(F)n2)nc1N1C[C@@H](C)CC1(C)C.
What is the InChIKey of 6-(6-fluoro-2-pyridinyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is RGQIPCLVQLOAFZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H26FN5O3S/c1-15-13-24(3,4)30(14-15)22-17(10-11-19(28-22)18-7-5-9-21(25)27-18)23(31)29-34(32,33)20-8-6-12-26-16(20)2/h5-12,15H,13-14H2,1-4H3,(H,29,31)/t15-/m0/s1.
What are the key properties of 6-(6-fluoro-2-pyridinyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
6-(6-fluoro-2-pyridinyl)-N-[(2-methyl-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 3.73, 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-methyl-3-pyridinyl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 130224288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).