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

C14H19N5O — CID 114721949

IUPAC2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1cncc1-c1cccnc1N
InChIInChI=1S/C14H19N5O/c1-3-18(4-2)13(20)9-19-10-16-8-12(19)11-6-5-7-17-14(11)15/h5-8,10H,3-4,9H2,1-2H3,(H2,15,17)
InChIKeyOORDSIRTKPYMQQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.40
Rot. Bonds5

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

2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide (PubChem CID 114721949) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide
PubChem CID114721949
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1cncc1-c1cccnc1N
InChIInChI=1S/C14H19N5O/c1-3-18(4-2)13(20)9-19-10-16-8-12(19)11-6-5-7-17-14(11)15/h5-8,10H,3-4,9H2,1-2H3,(H2,15,17)
InChIKeyOORDSIRTKPYMQQ-UHFFFAOYSA-N
XLogP1.40
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide (CID 114721949) is 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cn1cncc1-c1cccnc1N.
What is the InChIKey of 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide?
The InChIKey is OORDSIRTKPYMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-18(4-2)13(20)9-19-10-16-8-12(19)11-6-5-7-17-14(11)15/h5-8,10H,3-4,9H2,1-2H3,(H2,15,17).
What are the key properties of 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide?
2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide has a molecular weight of 273.34 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 114721949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).