3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide;hydrochloride

C12H20ClN3O2 — CID 119723761

IUPAC3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide;hydrochloride
SMILESCCn1cc(NC(=O)C(C)(C)CN)ccc1=O.Cl
InChIInChI=1S/C12H19N3O2.ClH/c1-4-15-7-9(5-6-10(15)16)14-11(17)12(2,3)8-13;/h5-7H,4,8,13H2,1-3H3,(H,14,17);1H
InChIKeyRASJLNZIBXBVAU-UHFFFAOYSA-N
MW273.76 g/mol
LogP1.21
Rot. Bonds4

About 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide;hydrochloride

3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide;hydrochloride (PubChem CID 119723761) has the molecular formula C12H20ClN3O2 and a molecular weight of 273.76 g/mol. Its IUPAC name is 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide;hydrochloride
PubChem CID119723761
Molecular FormulaC12H20ClN3O2
Molecular Weight273.76 g/mol
Exact Mass273.12
IUPAC Name3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide;hydrochloride
SMILESCCn1cc(NC(=O)C(C)(C)CN)ccc1=O.Cl
InChIInChI=1S/C12H19N3O2.ClH/c1-4-15-7-9(5-6-10(15)16)14-11(17)12(2,3)8-13;/h5-7H,4,8,13H2,1-3H3,(H,14,17);1H
InChIKeyRASJLNZIBXBVAU-UHFFFAOYSA-N
XLogP1.21
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3,3-dimethylbutanamide
CID 103929013
2-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-4,4-dimethylpentanamide
CID 107471465
2-(aminomethyl)-2-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 115431967
3-(2-aminoethoxy)-N-(1-ethyl-6-oxo-3-pyridinyl)propanamide
CID 112738988
2-bromo-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 63680648
2,2,2-trifluoro-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 62657037
5-(2-aminoethylamino)-1-ethylpyridin-2-one
CID 130588922
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylbutanamide
CID 81075529
3-amino-N-(1-ethylpyrazol-4-yl)-2,2-dimethylpropanamide;hydrochloride
CID 119728601
4-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)butanamide
CID 63307672
5-[[(1-ethyl-6-oxo-3-pyridinyl)amino]methyl]furan-3-carboxylic acid
CID 104608673
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2-phenylpropanamide;hydrochloride
CID 119723753

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide;hydrochloride (CID 119723761) is 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide;hydrochloride is CCn1cc(NC(=O)C(C)(C)CN)ccc1=O.Cl.
What is the InChIKey of 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is RASJLNZIBXBVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2.ClH/c1-4-15-7-9(5-6-10(15)16)14-11(17)12(2,3)8-13;/h5-7H,4,8,13H2,1-3H3,(H,14,17);1H.
What are the key properties of 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide;hydrochloride?
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 273.76 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 119723761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).