2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[3-(hydroxymethyl)oxolan-3-yl]pyrimidine-5-carboxamide

C22H23N5O5 — CID 134262719

IUPAC2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[3-(hydroxymethyl)oxolan-3-yl]pyrimidine-5-carboxamide
SMILESCCOc1cccnc1Oc1cncc(-c2ncc(C(=O)NC3(CO)CCOC3)cn2)c1
InChIInChI=1S/C22H23N5O5/c1-2-31-18-4-3-6-24-21(18)32-17-8-15(9-23-12-17)19-25-10-16(11-26-19)20(29)27-22(13-28)5-7-30-14-22/h3-4,6,8-12,28H,2,5,7,13-14H2,1H3,(H,27,29)
InChIKeyDFNKRIPGDXQUEM-UHFFFAOYSA-N
MW437.46 g/mol
LogP2.01
Rot. Bonds8

About 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[3-(hydroxymethyl)oxolan-3-yl]pyrimidine-5-carboxamide

2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[3-(hydroxymethyl)oxolan-3-yl]pyrimidine-5-carboxamide (PubChem CID 134262719) has the molecular formula C22H23N5O5 and a molecular weight of 437.46 g/mol. Its IUPAC name is 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[3-(hydroxymethyl)oxolan-3-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[3-(hydroxymethyl)oxolan-3-yl]pyrimidine-5-carboxamide
PubChem CID134262719
Molecular FormulaC22H23N5O5
Molecular Weight437.46 g/mol
Exact Mass437.17
IUPAC Name2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[3-(hydroxymethyl)oxolan-3-yl]pyrimidine-5-carboxamide
SMILESCCOc1cccnc1Oc1cncc(-c2ncc(C(=O)NC3(CO)CCOC3)cn2)c1
InChIInChI=1S/C22H23N5O5/c1-2-31-18-4-3-6-24-21(18)32-17-8-15(9-23-12-17)19-25-10-16(11-26-19)20(29)27-22(13-28)5-7-30-14-22/h3-4,6,8-12,28H,2,5,7,13-14H2,1H3,(H,27,29)
InChIKeyDFNKRIPGDXQUEM-UHFFFAOYSA-N
XLogP2.01
TPSA128.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[3-(hydroxymethyl)oxolan-3-yl]pyrimidine-5-carboxamide with MolForge

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Related Compounds

Ervogastat
CID 134262752
4Pxo8WQ1GP
CID 146422953
US11034678, Example 3.6
CID 134262721
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-[3-(hydroxymethyl)oxolan-3-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[3-(hydroxymethyl)oxolan-3-yl]pyrimidine-5-carboxamide (CID 134262719) is 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[3-(hydroxymethyl)oxolan-3-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[3-(hydroxymethyl)oxolan-3-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[3-(hydroxymethyl)oxolan-3-yl]pyrimidine-5-carboxamide is CCOc1cccnc1Oc1cncc(-c2ncc(C(=O)NC3(CO)CCOC3)cn2)c1.
What is the InChIKey of 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[3-(hydroxymethyl)oxolan-3-yl]pyrimidine-5-carboxamide?
The InChIKey is DFNKRIPGDXQUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O5/c1-2-31-18-4-3-6-24-21(18)32-17-8-15(9-23-12-17)19-25-10-16(11-26-19)20(29)27-22(13-28)5-7-30-14-22/h3-4,6,8-12,28H,2,5,7,13-14H2,1H3,(H,27,29).
What are the key properties of 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[3-(hydroxymethyl)oxolan-3-yl]pyrimidine-5-carboxamide?
2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[3-(hydroxymethyl)oxolan-3-yl]pyrimidine-5-carboxamide has a molecular weight of 437.46 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 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-[3-(hydroxymethyl)oxolan-3-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 134262719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).