2-[ethyl-[5-(hydroxymethyl)-2-pyridinyl]amino]-N-propan-2-ylacetamide

C13H21N3O2 — CID 80632069

IUPAC2-[ethyl-[5-(hydroxymethyl)-2-pyridinyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1ccc(CO)cn1
InChIInChI=1S/C13H21N3O2/c1-4-16(8-13(18)15-10(2)3)12-6-5-11(9-17)7-14-12/h5-7,10,17H,4,8-9H2,1-3H3,(H,15,18)
InChIKeyVWJXIOZIHCBBBT-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.92
Rot. Bonds6

About 2-[ethyl-[5-(hydroxymethyl)-2-pyridinyl]amino]-N-propan-2-ylacetamide

2-[ethyl-[5-(hydroxymethyl)-2-pyridinyl]amino]-N-propan-2-ylacetamide (PubChem CID 80632069) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[ethyl-[5-(hydroxymethyl)-2-pyridinyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[ethyl-[5-(hydroxymethyl)-2-pyridinyl]amino]-N-propan-2-ylacetamide
PubChem CID80632069
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[ethyl-[5-(hydroxymethyl)-2-pyridinyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)c1ccc(CO)cn1
InChIInChI=1S/C13H21N3O2/c1-4-16(8-13(18)15-10(2)3)12-6-5-11(9-17)7-14-12/h5-7,10,17H,4,8-9H2,1-3H3,(H,15,18)
InChIKeyVWJXIOZIHCBBBT-UHFFFAOYSA-N
XLogP0.92
TPSA65.46 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 ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-ethyl-4-(hydroxymethyl)anilino]-N-propan-2-ylacetamide
CID 54986482
2-[methyl-[5-(methylaminomethyl)-2-pyridinyl]amino]-N-propan-2-ylacetamide
CID 80630228
2-[(5-bromo-6-methyl-2-pyridinyl)-ethylamino]-N-propan-2-ylacetamide
CID 113412169
2-[[6-(aminomethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide
CID 64589162
2-[[5-(aminomethyl)-2-pyridinyl]-ethylamino]acetamide
CID 103101253
3-[ethyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]propan-1-ol
CID 113468825
1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111454346
[6-[butan-2-yl(ethyl)amino]-3-pyridinyl]methanol
CID 61257475
[6-[ethyl(pyridin-4-ylmethyl)amino]-3-pyridinyl]methanol
CID 54948162
2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]acetamide
CID 103103171
2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide
CID 80630363
2-[ethyl-[6-(methylamino)-2-pyridinyl]amino]-N-propan-2-ylacetamide
CID 80805603

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[5-(hydroxymethyl)-2-pyridinyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[ethyl-[5-(hydroxymethyl)-2-pyridinyl]amino]-N-propan-2-ylacetamide (CID 80632069) is 2-[ethyl-[5-(hydroxymethyl)-2-pyridinyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[ethyl-[5-(hydroxymethyl)-2-pyridinyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[ethyl-[5-(hydroxymethyl)-2-pyridinyl]amino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)c1ccc(CO)cn1.
What is the InChIKey of 2-[ethyl-[5-(hydroxymethyl)-2-pyridinyl]amino]-N-propan-2-ylacetamide?
The InChIKey is VWJXIOZIHCBBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-16(8-13(18)15-10(2)3)12-6-5-11(9-17)7-14-12/h5-7,10,17H,4,8-9H2,1-3H3,(H,15,18).
What are the key properties of 2-[ethyl-[5-(hydroxymethyl)-2-pyridinyl]amino]-N-propan-2-ylacetamide?
2-[ethyl-[5-(hydroxymethyl)-2-pyridinyl]amino]-N-propan-2-ylacetamide has a molecular weight of 251.33 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[5-(hydroxymethyl)-2-pyridinyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 80632069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).