2-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one

C15H19N5O — CID 114721687

IUPAC2-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)n1cncc1-c1ccc(N)nc1
InChIInChI=1S/C15H19N5O/c1-11(15(21)19-6-2-3-7-19)20-10-17-9-13(20)12-4-5-14(16)18-8-12/h4-5,8-11H,2-3,6-7H2,1H3,(H2,16,18)
InChIKeyQLNUBRDGMYNEAA-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.71
Rot. Bonds3

About 2-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one

2-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 114721687) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID114721687
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)n1cncc1-c1ccc(N)nc1
InChIInChI=1S/C15H19N5O/c1-11(15(21)19-6-2-3-7-19)20-10-17-9-13(20)12-4-5-14(16)18-8-12/h4-5,8-11H,2-3,6-7H2,1H3,(H2,16,18)
InChIKeyQLNUBRDGMYNEAA-UHFFFAOYSA-N
XLogP1.71
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]pyridin-2-amine
CID 114719365
2-[5-(1-aminoethyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 114707048
5-[3-(2-piperidin-1-ylethyl)imidazol-4-yl]pyridin-2-amine
CID 114718674
5-[3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]imidazol-4-yl]pyridin-2-amine
CID 114721127
2-(3-amino-1,2,4-triazol-1-yl)-1-(azepan-1-yl)propan-1-one
CID 54929712
1-piperidin-1-yl-2-(5-pyrrolidin-2-ylimidazol-1-yl)propan-1-one
CID 114707108
ethyl 2-[5-(2-amino-4-pyridinyl)imidazol-1-yl]propanoate
CID 114718853
2-(5-piperidin-3-ylimidazol-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 114707049
5-(3-octylimidazol-4-yl)pyridin-2-amine
CID 114721585
1-piperidin-1-yl-2-(5-piperidin-3-ylimidazol-1-yl)propan-1-one
CID 114707115
3-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-N-propylpropanamide
CID 114719410
1-(azepan-1-yl)-2-chloro-2-(3-propan-2-ylimidazol-4-yl)ethanone
CID 66164349

Frequently Asked Questions

What is the IUPAC name of 2-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 114721687) is 2-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one is CC(C(=O)N1CCCC1)n1cncc1-c1ccc(N)nc1.
What is the InChIKey of 2-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is QLNUBRDGMYNEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-11(15(21)19-6-2-3-7-19)20-10-17-9-13(20)12-4-5-14(16)18-8-12/h4-5,8-11H,2-3,6-7H2,1H3,(H2,16,18).
What are the key properties of 2-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
2-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 285.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 114721687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).