2-(5-amino-2-pyridinyl)-N-ethyl-N-propan-2-ylacetamide;hydrochloride

C12H20ClN3O — CID 120620159

IUPAC2-(5-amino-2-pyridinyl)-N-ethyl-N-propan-2-ylacetamide;hydrochloride
SMILESCCN(C(=O)Cc1ccc(N)cn1)C(C)C.Cl
InChIInChI=1S/C12H19N3O.ClH/c1-4-15(9(2)3)12(16)7-11-6-5-10(13)8-14-11;/h5-6,8-9H,4,7,13H2,1-3H3;1H
InChIKeyNKWBEHRTRHLFIP-UHFFFAOYSA-N
MW257.76 g/mol
LogP1.88
Rot. Bonds4

About 2-(5-amino-2-pyridinyl)-N-ethyl-N-propan-2-ylacetamide;hydrochloride

2-(5-amino-2-pyridinyl)-N-ethyl-N-propan-2-ylacetamide;hydrochloride (PubChem CID 120620159) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-N-ethyl-N-propan-2-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-N-ethyl-N-propan-2-ylacetamide;hydrochloride
PubChem CID120620159
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name2-(5-amino-2-pyridinyl)-N-ethyl-N-propan-2-ylacetamide;hydrochloride
SMILESCCN(C(=O)Cc1ccc(N)cn1)C(C)C.Cl
InChIInChI=1S/C12H19N3O.ClH/c1-4-15(9(2)3)12(16)7-11-6-5-10(13)8-14-11;/h5-6,8-9H,4,7,13H2,1-3H3;1H
InChIKeyNKWBEHRTRHLFIP-UHFFFAOYSA-N
XLogP1.88
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-amino-2-pyridinyl)-N,N-diethylacetamide;hydrochloride
CID 120616165
2-(5-amino-2-pyridinyl)-N-benzyl-N-butan-2-ylacetamide
CID 120618159
2-(5-amino-2-pyridinyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)acetamide
CID 107339531
N-(2-amino-2-oxoethyl)-2-(5-amino-2-pyridinyl)-N-(2-methylpropyl)acetamide
CID 107338053
2-(5-amino-2-pyridinyl)-N-(cyclopropylmethyl)-N-ethylacetamide;hydrochloride
CID 120632760
2-(5-amino-2-pyridinyl)-N-butan-2-ylacetamide
CID 107337332
2-(5-amino-2-pyridinyl)-N-benzyl-N-(1-cyclopropylethyl)acetamide;hydrochloride
CID 120617047
1-(5-amino-2-pyridinyl)-3-(dimethylamino)butan-2-one
CID 158610916
2-(5-amino-2-pyridinyl)-N-(2-methylbutyl)acetamide
CID 107338689
2-(5-amino-2-pyridinyl)-N-methyl-N-[1-(4-methylphenyl)ethyl]acetamide
CID 107337980
(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]propanoic acid
CID 107338226
4-[2-(5-amino-2-pyridinyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride
CID 120621767

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-N-ethyl-N-propan-2-ylacetamide;hydrochloride?
The IUPAC name of 2-(5-amino-2-pyridinyl)-N-ethyl-N-propan-2-ylacetamide;hydrochloride (CID 120620159) is 2-(5-amino-2-pyridinyl)-N-ethyl-N-propan-2-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-N-ethyl-N-propan-2-ylacetamide;hydrochloride?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-N-ethyl-N-propan-2-ylacetamide;hydrochloride is CCN(C(=O)Cc1ccc(N)cn1)C(C)C.Cl.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-N-ethyl-N-propan-2-ylacetamide;hydrochloride?
The InChIKey is NKWBEHRTRHLFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O.ClH/c1-4-15(9(2)3)12(16)7-11-6-5-10(13)8-14-11;/h5-6,8-9H,4,7,13H2,1-3H3;1H.
What are the key properties of 2-(5-amino-2-pyridinyl)-N-ethyl-N-propan-2-ylacetamide;hydrochloride?
2-(5-amino-2-pyridinyl)-N-ethyl-N-propan-2-ylacetamide;hydrochloride has a molecular weight of 257.76 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-N-ethyl-N-propan-2-ylacetamide;hydrochloride is sourced from PubChem (CID 120620159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).