N-[1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]pyrrolidin-3-yl]acetamide

C13H20N4O3 — CID 22598727

IUPACN-[1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2ccc(N)c(OCCO)n2)C1
InChIInChI=1S/C13H20N4O3/c1-9(19)15-10-4-5-17(8-10)12-3-2-11(14)13(16-12)20-7-6-18/h2-3,10,18H,4-8,14H2,1H3,(H,15,19)
InChIKeyHYQUSVREVCREPE-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.25
Rot. Bonds5

About N-[1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]pyrrolidin-3-yl]acetamide

N-[1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]pyrrolidin-3-yl]acetamide (PubChem CID 22598727) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]pyrrolidin-3-yl]acetamide
PubChem CID22598727
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN-[1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(c2ccc(N)c(OCCO)n2)C1
InChIInChI=1S/C13H20N4O3/c1-9(19)15-10-4-5-17(8-10)12-3-2-11(14)13(16-12)20-7-6-18/h2-3,10,18H,4-8,14H2,1H3,(H,15,19)
InChIKeyHYQUSVREVCREPE-UHFFFAOYSA-N
XLogP-0.25
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]pyrrolidin-3-yl]acetamide (CID 22598727) is N-[1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(c2ccc(N)c(OCCO)n2)C1.
What is the InChIKey of N-[1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]pyrrolidin-3-yl]acetamide?
The InChIKey is HYQUSVREVCREPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-9(19)15-10-4-5-17(8-10)12-3-2-11(14)13(16-12)20-7-6-18/h2-3,10,18H,4-8,14H2,1H3,(H,15,19).
What are the key properties of N-[1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]pyrrolidin-3-yl]acetamide?
N-[1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]pyrrolidin-3-yl]acetamide has a molecular weight of 280.33 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-amino-6-(2-hydroxyethoxy)-2-pyridinyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 22598727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).