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

C16H20ClN3O2 — CID 119723753

IUPAC3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2-phenylpropanamide;hydrochloride
SMILESCCn1cc(NC(=O)C(CN)c2ccccc2)ccc1=O.Cl
InChIInChI=1S/C16H19N3O2.ClH/c1-2-19-11-13(8-9-15(19)20)18-16(21)14(10-17)12-6-4-3-5-7-12;/h3-9,11,14H,2,10,17H2,1H3,(H,18,21);1H
InChIKeyHVBQFCKQIWOUIX-UHFFFAOYSA-N
MW321.81 g/mol
LogP1.97
Rot. Bonds5

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

3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2-phenylpropanamide;hydrochloride (PubChem CID 119723753) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2-phenylpropanamide;hydrochloride
PubChem CID119723753
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Name3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2-phenylpropanamide;hydrochloride
SMILESCCn1cc(NC(=O)C(CN)c2ccccc2)ccc1=O.Cl
InChIInChI=1S/C16H19N3O2.ClH/c1-2-19-11-13(8-9-15(19)20)18-16(21)14(10-17)12-6-4-3-5-7-12;/h3-9,11,14H,2,10,17H2,1H3,(H,18,21);1H
InChIKeyHVBQFCKQIWOUIX-UHFFFAOYSA-N
XLogP1.97
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 51.97
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-phenylpropanamide
CID 78984653
2-(aminomethyl)-N-(1-ethyl-6-oxo-3-pyridinyl)-4,4-dimethylpentanamide
CID 107471465
N-(4-acetylphenyl)-3-amino-2-phenylpropanamide
CID 62877329
4-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-3-methylbutanamide
CID 81075529
4-[(3-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119684154
2-amino-N-(1-ethyl-6-oxo-3-pyridinyl)hexanamide
CID 54862552
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2,2-dimethylpropanamide;hydrochloride
CID 119723761
2-anilino-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
CID 60927957
2-(aminomethyl)-3-methyl-N-(6-oxo-1-propyl-3-pyridinyl)butanamide
CID 65230096
3-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 119855008
1-(3-cyano-1-phenylpropyl)-3-(1-ethyl-6-oxo-3-pyridinyl)urea
CID 146091357
N-[4-[(3-amino-2-phenylpropanoyl)amino]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119700127

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2-phenylpropanamide;hydrochloride (CID 119723753) is 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2-phenylpropanamide;hydrochloride is CCn1cc(NC(=O)C(CN)c2ccccc2)ccc1=O.Cl.
What is the InChIKey of 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2-phenylpropanamide;hydrochloride?
The InChIKey is HVBQFCKQIWOUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2.ClH/c1-2-19-11-13(8-9-15(19)20)18-16(21)14(10-17)12-6-4-3-5-7-12;/h3-9,11,14H,2,10,17H2,1H3,(H,18,21);1H.
What are the key properties of 3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2-phenylpropanamide;hydrochloride?
3-amino-N-(1-ethyl-6-oxo-3-pyridinyl)-2-phenylpropanamide;hydrochloride has a molecular weight of 321.81 g/mol, XLogP of 1.97, 5 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-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119723753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).