2-[[6-(1-hydroxyethyl)-3-pyridinyl]-(2-methylpropyl)amino]acetamide

C13H21N3O2 — CID 83132747

IUPAC2-[[6-(1-hydroxyethyl)-3-pyridinyl]-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)c1ccc(C(C)O)nc1
InChIInChI=1S/C13H21N3O2/c1-9(2)7-16(8-13(14)18)11-4-5-12(10(3)17)15-6-11/h4-6,9-10,17H,7-8H2,1-3H3,(H2,14,18)
InChIKeyBFZLQINNXPFUCI-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.08
Rot. Bonds6

About 2-[[6-(1-hydroxyethyl)-3-pyridinyl]-(2-methylpropyl)amino]acetamide

2-[[6-(1-hydroxyethyl)-3-pyridinyl]-(2-methylpropyl)amino]acetamide (PubChem CID 83132747) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[[6-(1-hydroxyethyl)-3-pyridinyl]-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[[6-(1-hydroxyethyl)-3-pyridinyl]-(2-methylpropyl)amino]acetamide
PubChem CID83132747
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[[6-(1-hydroxyethyl)-3-pyridinyl]-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)c1ccc(C(C)O)nc1
InChIInChI=1S/C13H21N3O2/c1-9(2)7-16(8-13(14)18)11-4-5-12(10(3)17)15-6-11/h4-6,9-10,17H,7-8H2,1-3H3,(H2,14,18)
InChIKeyBFZLQINNXPFUCI-UHFFFAOYSA-N
XLogP1.08
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(1-hydroxyethyl)-3-pyridinyl]-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[[6-(1-hydroxyethyl)-3-pyridinyl]-(2-methylpropyl)amino]acetamide (CID 83132747) is 2-[[6-(1-hydroxyethyl)-3-pyridinyl]-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[[6-(1-hydroxyethyl)-3-pyridinyl]-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[[6-(1-hydroxyethyl)-3-pyridinyl]-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(N)=O)c1ccc(C(C)O)nc1.
What is the InChIKey of 2-[[6-(1-hydroxyethyl)-3-pyridinyl]-(2-methylpropyl)amino]acetamide?
The InChIKey is BFZLQINNXPFUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)7-16(8-13(14)18)11-4-5-12(10(3)17)15-6-11/h4-6,9-10,17H,7-8H2,1-3H3,(H2,14,18).
What are the key properties of 2-[[6-(1-hydroxyethyl)-3-pyridinyl]-(2-methylpropyl)amino]acetamide?
2-[[6-(1-hydroxyethyl)-3-pyridinyl]-(2-methylpropyl)amino]acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(1-hydroxyethyl)-3-pyridinyl]-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 83132747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).