N-[2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide

C16H23N5O4 — CID 53185888

IUPACN-[2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC(Oc2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C16H23N5O4/c1-12(22)17-9-16(23)21-3-2-13(10-21)25-15-8-14(18-11-19-15)20-4-6-24-7-5-20/h8,11,13H,2-7,9-10H2,1H3,(H,17,22)
InChIKeyFFWCLOWEKAIUCC-UHFFFAOYSA-N
MW349.39 g/mol
LogP-0.57
Rot. Bonds5

About N-[2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide

N-[2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 53185888) has the molecular formula C16H23N5O4 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide
PubChem CID53185888
Molecular FormulaC16H23N5O4
Molecular Weight349.39 g/mol
Exact Mass349.18
IUPAC NameN-[2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC(Oc2cc(N3CCOCC3)ncn2)C1
InChIInChI=1S/C16H23N5O4/c1-12(22)17-9-16(23)21-3-2-13(10-21)25-15-8-14(18-11-19-15)20-4-6-24-7-5-20/h8,11,13H,2-7,9-10H2,1H3,(H,17,22)
InChIKeyFFWCLOWEKAIUCC-UHFFFAOYSA-N
XLogP-0.57
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide (CID 53185888) is N-[2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCC(Oc2cc(N3CCOCC3)ncn2)C1.
What is the InChIKey of N-[2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is FFWCLOWEKAIUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O4/c1-12(22)17-9-16(23)21-3-2-13(10-21)25-15-8-14(18-11-19-15)20-4-6-24-7-5-20/h8,11,13H,2-7,9-10H2,1H3,(H,17,22).
What are the key properties of N-[2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide?
N-[2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 349.39 g/mol, XLogP of -0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 53185888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).