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

C15H19N5O — CID 114721864

IUPAC3-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESNc1ncccc1-c1cncn1CCC(=O)N1CCCC1
InChIInChI=1S/C15H19N5O/c16-15-12(4-3-6-18-15)13-10-17-11-20(13)9-5-14(21)19-7-1-2-8-19/h3-4,6,10-11H,1-2,5,7-9H2,(H2,16,18)
InChIKeyZZZYZYZEPXJZMK-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.54
Rot. Bonds4

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

3-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 114721864) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID114721864
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name3-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESNc1ncccc1-c1cncn1CCC(=O)N1CCCC1
InChIInChI=1S/C15H19N5O/c16-15-12(4-3-6-18-15)13-10-17-11-20(13)9-5-14(21)19-7-1-2-8-19/h3-4,6,10-11H,1-2,5,7-9H2,(H2,16,18)
InChIKeyZZZYZYZEPXJZMK-UHFFFAOYSA-N
XLogP1.54
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-hex-5-ynylimidazol-4-yl)pyridin-2-amine
CID 114158854
3-[3-(2-piperidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114719316
3-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine
CID 114720401
3-[3-(3,3-dimethylbutyl)imidazol-4-yl]pyridin-2-amine
CID 114722496
2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 114718023
3-[3-(2-methyl-3-pyrrolidin-1-ylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114720176
2-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-N,N-diethylacetamide
CID 114721949
3-[3-[2-(1,2,4-oxadiazol-5-yl)ethyl]imidazol-4-yl]pyridin-2-amine
CID 106410397
3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-piperidin-1-ylpropan-1-one
CID 104943658
3-[3-(2-phenylpropyl)imidazol-4-yl]pyridin-2-amine
CID 114722289
3-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]pyridin-2-amine
CID 114716675
3-[3-(2-ethylhexyl)imidazol-4-yl]pyridin-2-amine
CID 107819458

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 114721864) is 3-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one is Nc1ncccc1-c1cncn1CCC(=O)N1CCCC1.
What is the InChIKey of 3-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is ZZZYZYZEPXJZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c16-15-12(4-3-6-18-15)13-10-17-11-20(13)9-5-14(21)19-7-1-2-8-19/h3-4,6,10-11H,1-2,5,7-9H2,(H2,16,18).
What are the key properties of 3-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 285.35 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-amino-3-pyridinyl)imidazol-1-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 114721864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).