1-[5-(2-aminoethyl)imidazol-1-yl]-3-pyridin-2-ylpropan-1-one

C13H16N4O — CID 112533429

IUPAC1-[5-(2-aminoethyl)imidazol-1-yl]-3-pyridin-2-ylpropan-1-one
SMILESNCCc1cncn1C(=O)CCc1ccccn1
InChIInChI=1S/C13H16N4O/c14-7-6-12-9-15-10-17(12)13(18)5-4-11-3-1-2-8-16-11/h1-3,8-10H,4-7,14H2
InChIKeyNIBLZMSDSNQRRU-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.05
Rot. Bonds5

About 1-[5-(2-aminoethyl)imidazol-1-yl]-3-pyridin-2-ylpropan-1-one

1-[5-(2-aminoethyl)imidazol-1-yl]-3-pyridin-2-ylpropan-1-one (PubChem CID 112533429) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-[5-(2-aminoethyl)imidazol-1-yl]-3-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[5-(2-aminoethyl)imidazol-1-yl]-3-pyridin-2-ylpropan-1-one
PubChem CID112533429
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-[5-(2-aminoethyl)imidazol-1-yl]-3-pyridin-2-ylpropan-1-one
SMILESNCCc1cncn1C(=O)CCc1ccccn1
InChIInChI=1S/C13H16N4O/c14-7-6-12-9-15-10-17(12)13(18)5-4-11-3-1-2-8-16-11/h1-3,8-10H,4-7,14H2
InChIKeyNIBLZMSDSNQRRU-UHFFFAOYSA-N
XLogP1.05
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
2-[1-(2-pyridin-2-ylethyl)pyrrol-2-yl]ethanamine
CID 66404435
1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridin-2-ylpropan-1-one
CID 112534839
N-[[4-(2-aminoethyl)phenyl]methyl]-3-pyridin-2-ylpropanamide
CID 81485528
3-pyridin-2-ylpropanoyl chloride;hydrochloride
CID 87464337
1,4-dipyridin-2-ylbutan-2-one
CID 105108067
1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 81479420
3-pyridin-2-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one
CID 112535701
ethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate
CID 110389199
N-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]ethanamine
CID 66147331
N-(3-amino-4-fluorophenyl)-3-pyridin-2-ylpropanamide
CID 81466595
1-[3-(methylamino)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 81466575

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-aminoethyl)imidazol-1-yl]-3-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-[5-(2-aminoethyl)imidazol-1-yl]-3-pyridin-2-ylpropan-1-one (CID 112533429) is 1-[5-(2-aminoethyl)imidazol-1-yl]-3-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-[5-(2-aminoethyl)imidazol-1-yl]-3-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-[5-(2-aminoethyl)imidazol-1-yl]-3-pyridin-2-ylpropan-1-one is NCCc1cncn1C(=O)CCc1ccccn1.
What is the InChIKey of 1-[5-(2-aminoethyl)imidazol-1-yl]-3-pyridin-2-ylpropan-1-one?
The InChIKey is NIBLZMSDSNQRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-7-6-12-9-15-10-17(12)13(18)5-4-11-3-1-2-8-16-11/h1-3,8-10H,4-7,14H2.
What are the key properties of 1-[5-(2-aminoethyl)imidazol-1-yl]-3-pyridin-2-ylpropan-1-one?
1-[5-(2-aminoethyl)imidazol-1-yl]-3-pyridin-2-ylpropan-1-one has a molecular weight of 244.30 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-aminoethyl)imidazol-1-yl]-3-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 112533429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).