2-hydroxy-N-methyl-N-[3-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)oxycyclobutyl]acetamide

C20H25N5O4 — CID 118637863

IUPAC2-hydroxy-N-methyl-N-[3-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)oxycyclobutyl]acetamide
SMILESCN(C(=O)CO)C1CC(Oc2cc(-c3cccnc3)nc(N3CCOCC3)n2)C1
InChIInChI=1S/C20H25N5O4/c1-24(19(27)13-26)15-9-16(10-15)29-18-11-17(14-3-2-4-21-12-14)22-20(23-18)25-5-7-28-8-6-25/h2-4,11-12,15-16,26H,5-10,13H2,1H3
InChIKeyFOGANWJAPOCHJM-UHFFFAOYSA-N
MW399.45 g/mol
LogP0.74
Rot. Bonds6

About 2-hydroxy-N-methyl-N-[3-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)oxycyclobutyl]acetamide

2-hydroxy-N-methyl-N-[3-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)oxycyclobutyl]acetamide (PubChem CID 118637863) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-N-[3-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)oxycyclobutyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-N-[3-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)oxycyclobutyl]acetamide
PubChem CID118637863
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Name2-hydroxy-N-methyl-N-[3-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)oxycyclobutyl]acetamide
SMILESCN(C(=O)CO)C1CC(Oc2cc(-c3cccnc3)nc(N3CCOCC3)n2)C1
InChIInChI=1S/C20H25N5O4/c1-24(19(27)13-26)15-9-16(10-15)29-18-11-17(14-3-2-4-21-12-14)22-20(23-18)25-5-7-28-8-6-25/h2-4,11-12,15-16,26H,5-10,13H2,1H3
InChIKeyFOGANWJAPOCHJM-UHFFFAOYSA-N
XLogP0.74
TPSA100.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-N-[3-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)oxycyclobutyl]acetamide?
The IUPAC name of 2-hydroxy-N-methyl-N-[3-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)oxycyclobutyl]acetamide (CID 118637863) is 2-hydroxy-N-methyl-N-[3-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)oxycyclobutyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-methyl-N-[3-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)oxycyclobutyl]acetamide?
The canonical SMILES for 2-hydroxy-N-methyl-N-[3-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)oxycyclobutyl]acetamide is CN(C(=O)CO)C1CC(Oc2cc(-c3cccnc3)nc(N3CCOCC3)n2)C1.
What is the InChIKey of 2-hydroxy-N-methyl-N-[3-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)oxycyclobutyl]acetamide?
The InChIKey is FOGANWJAPOCHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c1-24(19(27)13-26)15-9-16(10-15)29-18-11-17(14-3-2-4-21-12-14)22-20(23-18)25-5-7-28-8-6-25/h2-4,11-12,15-16,26H,5-10,13H2,1H3.
What are the key properties of 2-hydroxy-N-methyl-N-[3-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)oxycyclobutyl]acetamide?
2-hydroxy-N-methyl-N-[3-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)oxycyclobutyl]acetamide has a molecular weight of 399.45 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-N-[3-(2-morpholin-4-yl-6-pyridin-3-ylpyrimidin-4-yl)oxycyclobutyl]acetamide is sourced from PubChem (CID 118637863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).