2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide

C22H25N5O5S — CID 134262721

IUPAC2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide
SMILESCCOc1cccnc1Oc1cncc(-c2ncc(C(=O)NC(C)(C)CS(C)(=O)=O)cn2)c1
InChIInChI=1S/C22H25N5O5S/c1-5-31-18-7-6-8-24-21(18)32-17-9-15(10-23-13-17)19-25-11-16(12-26-19)20(28)27-22(2,3)14-33(4,29)30/h6-13H,5,14H2,1-4H3,(H,27,28)
InChIKeySRUPJGMACABRHF-UHFFFAOYSA-N
MW471.54 g/mol
LogP2.68
Rot. Bonds9

About 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide

2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide (PubChem CID 134262721) has the molecular formula C22H25N5O5S and a molecular weight of 471.54 g/mol. Its IUPAC name is 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide
PubChem CID134262721
Molecular FormulaC22H25N5O5S
Molecular Weight471.54 g/mol
Exact Mass471.16
IUPAC Name2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide
SMILESCCOc1cccnc1Oc1cncc(-c2ncc(C(=O)NC(C)(C)CS(C)(=O)=O)cn2)c1
InChIInChI=1S/C22H25N5O5S/c1-5-31-18-7-6-8-24-21(18)32-17-9-15(10-23-13-17)19-25-11-16(12-26-19)20(28)27-22(2,3)14-33(4,29)30/h6-13H,5,14H2,1-4H3,(H,27,28)
InChIKeySRUPJGMACABRHF-UHFFFAOYSA-N
XLogP2.68
TPSA133.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide with MolForge

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Related Compounds

Ervogastat
CID 134262752
4Pxo8WQ1GP
CID 146422953
US10071992, Example 6a
CID 134262719
US10071992, Example 5
CID 134262726
US10071992, Example 2
CID 134262728
US10071992, Example 3.3
CID 134262736
US11065249, Example 6
CID 146422943
US11065249, Example 2
CID 146422956
US11065249, Example 3
CID 146423005
US11065249, Example 5
CID 146423026
US11065249, Example 18
CID 156232194
US11065249, Example 7
CID 156232211

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide (CID 134262721) is 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide is CCOc1cccnc1Oc1cncc(-c2ncc(C(=O)NC(C)(C)CS(C)(=O)=O)cn2)c1.
What is the InChIKey of 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide?
The InChIKey is SRUPJGMACABRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O5S/c1-5-31-18-7-6-8-24-21(18)32-17-9-15(10-23-13-17)19-25-11-16(12-26-19)20(28)27-22(2,3)14-33(4,29)30/h6-13H,5,14H2,1-4H3,(H,27,28).
What are the key properties of 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide?
2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide has a molecular weight of 471.54 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-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-(2-methyl-1-methylsulfonylpropan-2-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 134262721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).