N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4,4-difluoropiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide

C24H26F2N6O4S — CID 121250573

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-2-(4,4-difluoropiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC(F)(F)CC3)n2)cn1
InChIInChI=1S/C24H26F2N6O4S/c1-15(2)36-20-9-6-16(14-28-20)18-8-7-17(22(29-18)32-12-10-24(25,26)11-13-32)23(33)31-37(34,35)21-5-3-4-19(27)30-21/h3-9,14-15H,10-13H2,1-2H3,(H2,27,30)(H,31,33)
InChIKeyXOXBWFMJKXNCOY-UHFFFAOYSA-N
MW532.57 g/mol
LogP3.26
Rot. Bonds7

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4,4-difluoropiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4,4-difluoropiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 121250573) has the molecular formula C24H26F2N6O4S and a molecular weight of 532.57 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4,4-difluoropiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-(4,4-difluoropiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
PubChem CID121250573
Molecular FormulaC24H26F2N6O4S
Molecular Weight532.57 g/mol
Exact Mass532.17
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-(4,4-difluoropiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC(F)(F)CC3)n2)cn1
InChIInChI=1S/C24H26F2N6O4S/c1-15(2)36-20-9-6-16(14-28-20)18-8-7-17(22(29-18)32-12-10-24(25,26)11-13-32)23(33)31-37(34,35)21-5-3-4-19(27)30-21/h3-9,14-15H,10-13H2,1-2H3,(H2,27,30)(H,31,33)
InChIKeyXOXBWFMJKXNCOY-UHFFFAOYSA-N
XLogP3.26
TPSA140.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.57
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4,4-difluoropiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4,4-difluoropiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (CID 121250573) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4,4-difluoropiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4,4-difluoropiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4,4-difluoropiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide is CC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC(F)(F)CC3)n2)cn1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4,4-difluoropiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is XOXBWFMJKXNCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N6O4S/c1-15(2)36-20-9-6-16(14-28-20)18-8-7-17(22(29-18)32-12-10-24(25,26)11-13-32)23(33)31-37(34,35)21-5-3-4-19(27)30-21/h3-9,14-15H,10-13H2,1-2H3,(H2,27,30)(H,31,33).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4,4-difluoropiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4,4-difluoropiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 532.57 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-2-(4,4-difluoropiperidin-1-yl)-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 121250573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).