2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylpropanamide

C15H21N5O — CID 114721819

IUPAC2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)n1cncc1-c1cnccc1N
InChIInChI=1S/C15H21N5O/c1-4-19(5-2)15(21)11(3)20-10-18-9-14(20)12-8-17-7-6-13(12)16/h6-11H,4-5H2,1-3H3,(H2,16,17)
InChIKeyXOZJQIQTQUVXTF-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.96
Rot. Bonds5

About 2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylpropanamide

2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylpropanamide (PubChem CID 114721819) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylpropanamide
PubChem CID114721819
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)n1cncc1-c1cnccc1N
InChIInChI=1S/C15H21N5O/c1-4-19(5-2)15(21)11(3)20-10-18-9-14(20)12-8-17-7-6-13(12)16/h6-11H,4-5H2,1-3H3,(H2,16,17)
InChIKeyXOZJQIQTQUVXTF-UHFFFAOYSA-N
XLogP1.96
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylpropanamide
CID 114721812
2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-(2-methylpropyl)propanamide
CID 114721807
2-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N,N-diethylpropanamide
CID 114707141
2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 114718031
3-[3-(1-cyclohexylpropyl)imidazol-4-yl]pyridin-4-amine
CID 114720144
2-[(3-amino-4-pyridinyl)-methylamino]-N,N-diethylpropanamide
CID 61359027
3-[3-[1-(2,5-dimethylthiophen-3-yl)ethyl]imidazol-4-yl]pyridin-4-amine
CID 114718489
3-[3-[3-[methyl(propan-2-yl)amino]propyl]imidazol-4-yl]pyridin-4-amine
CID 106041102
methyl 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]propanoate
CID 114718970
3-[3-(2-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridin-4-amine
CID 114721375
ethyl 2-[5-(2-amino-4-pyridinyl)imidazol-1-yl]propanoate
CID 114718853
2-[2-(3-aminophenyl)imidazol-1-yl]-N,N-diethylpropanamide
CID 60814510

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylpropanamide?
The IUPAC name of 2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylpropanamide (CID 114721819) is 2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylpropanamide?
The canonical SMILES for 2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)n1cncc1-c1cnccc1N.
What is the InChIKey of 2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylpropanamide?
The InChIKey is XOZJQIQTQUVXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-4-19(5-2)15(21)11(3)20-10-18-9-14(20)12-8-17-7-6-13(12)16/h6-11H,4-5H2,1-3H3,(H2,16,17).
What are the key properties of 2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylpropanamide?
2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylpropanamide has a molecular weight of 287.37 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylpropanamide is sourced from PubChem (CID 114721819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).