2-[(2R)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenoxy)pyridine-4-carboxamide

C21H24N4O6S — CID 67489794

IUPAC2-[(2R)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenoxy)pyridine-4-carboxamide
SMILESCOC[C@@H](C)Oc1cc(C(=O)Nc2ccn(C)n2)cc(Oc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C21H24N4O6S/c1-14(13-29-3)30-19-11-15(21(26)22-18-9-10-25(2)24-18)12-20(23-19)31-16-5-7-17(8-6-16)32(4,27)28/h5-12,14H,13H2,1-4H3,(H,22,24,26)/t14-/m1/s1
InChIKeyJPLBYJLCJREZQI-CQSZACIVSA-N
MW460.51 g/mol
LogP2.68
Rot. Bonds9

About 2-[(2R)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenoxy)pyridine-4-carboxamide

2-[(2R)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenoxy)pyridine-4-carboxamide (PubChem CID 67489794) has the molecular formula C21H24N4O6S and a molecular weight of 460.51 g/mol. Its IUPAC name is 2-[(2R)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenoxy)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(2R)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenoxy)pyridine-4-carboxamide
PubChem CID67489794
Molecular FormulaC21H24N4O6S
Molecular Weight460.51 g/mol
Exact Mass460.14
IUPAC Name2-[(2R)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenoxy)pyridine-4-carboxamide
SMILESCOC[C@@H](C)Oc1cc(C(=O)Nc2ccn(C)n2)cc(Oc2ccc(S(C)(=O)=O)cc2)n1
InChIInChI=1S/C21H24N4O6S/c1-14(13-29-3)30-19-11-15(21(26)22-18-9-10-25(2)24-18)12-20(23-19)31-16-5-7-17(8-6-16)32(4,27)28/h5-12,14H,13H2,1-4H3,(H,22,24,26)/t14-/m1/s1
InChIKeyJPLBYJLCJREZQI-CQSZACIVSA-N
XLogP2.68
TPSA121.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenoxy)pyridine-4-carboxamide?
The IUPAC name of 2-[(2R)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenoxy)pyridine-4-carboxamide (CID 67489794) is 2-[(2R)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenoxy)pyridine-4-carboxamide.
What is the SMILES notation for 2-[(2R)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenoxy)pyridine-4-carboxamide?
The canonical SMILES for 2-[(2R)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenoxy)pyridine-4-carboxamide is COC[C@@H](C)Oc1cc(C(=O)Nc2ccn(C)n2)cc(Oc2ccc(S(C)(=O)=O)cc2)n1.
What is the InChIKey of 2-[(2R)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenoxy)pyridine-4-carboxamide?
The InChIKey is JPLBYJLCJREZQI-CQSZACIVSA-N. The full InChI is InChI=1S/C21H24N4O6S/c1-14(13-29-3)30-19-11-15(21(26)22-18-9-10-25(2)24-18)12-20(23-19)31-16-5-7-17(8-6-16)32(4,27)28/h5-12,14H,13H2,1-4H3,(H,22,24,26)/t14-/m1/s1.
What are the key properties of 2-[(2R)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenoxy)pyridine-4-carboxamide?
2-[(2R)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenoxy)pyridine-4-carboxamide has a molecular weight of 460.51 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenoxy)pyridine-4-carboxamide is sourced from PubChem (CID 67489794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).