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

C21H23N5O4 — CID 134262726

IUPAC2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide
SMILESCCOc1cccnc1Oc1cncc(-c2ncc(C(=O)NC(C)(C)CO)cn2)c1
InChIInChI=1S/C21H23N5O4/c1-4-29-17-6-5-7-23-20(17)30-16-8-14(9-22-12-16)18-24-10-15(11-25-18)19(28)26-21(2,3)13-27/h5-12,27H,4,13H2,1-3H3,(H,26,28)
InChIKeyXQHIDECQDHTFCG-UHFFFAOYSA-N
MW409.45 g/mol
LogP2.63
Rot. Bonds8

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

2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide (PubChem CID 134262726) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide
PubChem CID134262726
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Name2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide
SMILESCCOc1cccnc1Oc1cncc(-c2ncc(C(=O)NC(C)(C)CO)cn2)c1
InChIInChI=1S/C21H23N5O4/c1-4-29-17-6-5-7-23-20(17)30-16-8-14(9-22-12-16)18-24-10-15(11-25-18)19(28)26-21(2,3)13-27/h5-12,27H,4,13H2,1-3H3,(H,26,28)
InChIKeyXQHIDECQDHTFCG-UHFFFAOYSA-N
XLogP2.63
TPSA119.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

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CID 134262752
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US10071992, Example 6a
CID 134262719
US11034678, Example 3.6
CID 134262721
US10071992, Example 2
CID 134262728
US10071992, Example 3.3
CID 134262736
US11065249, Example 6
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US11065249, Example 2
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US11065249, Example 3
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US11065249, Example 18
CID 156232194

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide (CID 134262726) is 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide is CCOc1cccnc1Oc1cncc(-c2ncc(C(=O)NC(C)(C)CO)cn2)c1.
What is the InChIKey of 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide?
The InChIKey is XQHIDECQDHTFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c1-4-29-17-6-5-7-23-20(17)30-16-8-14(9-22-12-16)18-24-10-15(11-25-18)19(28)26-21(2,3)13-27/h5-12,27H,4,13H2,1-3H3,(H,26,28).
What are the key properties of 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide?
2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-(1-hydroxy-2-methylpropan-2-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 134262726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).