6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-methylsulfonylpyridine-2-carboxamide

C20H18F2N4O3S — CID 59399074

IUPAC6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-methylsulfonylpyridine-2-carboxamide
SMILESCC(C)(c1cccc(C(=O)NS(C)(=O)=O)n1)c1cccc(-c2ccc(F)nc2F)n1
InChIInChI=1S/C20H18F2N4O3S/c1-20(2,16-9-5-7-14(24-16)19(27)26-30(3,28)29)15-8-4-6-13(23-15)12-10-11-17(21)25-18(12)22/h4-11H,1-3H3,(H,26,27)
InChIKeyUWDYGZXJGFLVAU-UHFFFAOYSA-N
MW432.45 g/mol
LogP2.83
Rot. Bonds5

About 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-methylsulfonylpyridine-2-carboxamide

6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-methylsulfonylpyridine-2-carboxamide (PubChem CID 59399074) has the molecular formula C20H18F2N4O3S and a molecular weight of 432.45 g/mol. Its IUPAC name is 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-methylsulfonylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-methylsulfonylpyridine-2-carboxamide
PubChem CID59399074
Molecular FormulaC20H18F2N4O3S
Molecular Weight432.45 g/mol
Exact Mass432.11
IUPAC Name6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-methylsulfonylpyridine-2-carboxamide
SMILESCC(C)(c1cccc(C(=O)NS(C)(=O)=O)n1)c1cccc(-c2ccc(F)nc2F)n1
InChIInChI=1S/C20H18F2N4O3S/c1-20(2,16-9-5-7-14(24-16)19(27)26-30(3,28)29)15-8-4-6-13(23-15)12-10-11-17(21)25-18(12)22/h4-11H,1-3H3,(H,26,27)
InChIKeyUWDYGZXJGFLVAU-UHFFFAOYSA-N
XLogP2.83
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 52.83
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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Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-methylsulfonylpyridine-2-carboxamide?
The IUPAC name of 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-methylsulfonylpyridine-2-carboxamide (CID 59399074) is 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-methylsulfonylpyridine-2-carboxamide.
What is the SMILES notation for 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-methylsulfonylpyridine-2-carboxamide?
The canonical SMILES for 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-methylsulfonylpyridine-2-carboxamide is CC(C)(c1cccc(C(=O)NS(C)(=O)=O)n1)c1cccc(-c2ccc(F)nc2F)n1.
What is the InChIKey of 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-methylsulfonylpyridine-2-carboxamide?
The InChIKey is UWDYGZXJGFLVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O3S/c1-20(2,16-9-5-7-14(24-16)19(27)26-30(3,28)29)15-8-4-6-13(23-15)12-10-11-17(21)25-18(12)22/h4-11H,1-3H3,(H,26,27).
What are the key properties of 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-methylsulfonylpyridine-2-carboxamide?
6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-methylsulfonylpyridine-2-carboxamide has a molecular weight of 432.45 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[6-(2,6-difluoro-3-pyridinyl)-2-pyridinyl]propan-2-yl]-N-methylsulfonylpyridine-2-carboxamide is sourced from PubChem (CID 59399074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).