1-[4-(2-aminoethyl)imidazol-1-yl]-2-pyridin-3-ylethanone

C12H14N4O — CID 112532326

IUPAC1-[4-(2-aminoethyl)imidazol-1-yl]-2-pyridin-3-ylethanone
SMILESNCCc1cn(C(=O)Cc2cccnc2)cn1
InChIInChI=1S/C12H14N4O/c13-4-3-11-8-16(9-15-11)12(17)6-10-2-1-5-14-7-10/h1-2,5,7-9H,3-4,6,13H2
InChIKeyPIGQUPSBBLBBSI-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.66
Rot. Bonds4

About 1-[4-(2-aminoethyl)imidazol-1-yl]-2-pyridin-3-ylethanone

1-[4-(2-aminoethyl)imidazol-1-yl]-2-pyridin-3-ylethanone (PubChem CID 112532326) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-[4-(2-aminoethyl)imidazol-1-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[4-(2-aminoethyl)imidazol-1-yl]-2-pyridin-3-ylethanone
PubChem CID112532326
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-[4-(2-aminoethyl)imidazol-1-yl]-2-pyridin-3-ylethanone
SMILESNCCc1cn(C(=O)Cc2cccnc2)cn1
InChIInChI=1S/C12H14N4O/c13-4-3-11-8-16(9-15-11)12(17)6-10-2-1-5-14-7-10/h1-2,5,7-9H,3-4,6,13H2
InChIKeyPIGQUPSBBLBBSI-UHFFFAOYSA-N
XLogP0.66
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-aminoethyl)imidazol-1-yl]-pyridin-3-ylmethanone
CID 112532393
3-(1-methylimidazol-4-yl)-N'-(pyridin-3-ylmethyl)propanehydrazide
CID 67707532
CID 66868100
CID 66868100
2-pyridin-3-ylacetyl chloride
CID 14697475
1-[4-(2-aminoethyl)imidazol-1-yl]-3-piperidin-1-ylpropan-1-one
CID 112532334
lithium;hydride;2-pyridin-3-ylacetic acid
CID 173026035
2-[8-(2-pyridin-3-ylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79612482
1-amino-4-pyridin-3-ylbutan-2-one
CID 82414894
N-ethyl-N-iodo-2-pyridin-3-ylacetamide
CID 143532975
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 79030214
ethene;1-pyridin-3-ylbut-3-yn-2-one
CID 143759545
N-methyl-2-pyridin-3-ylacetohydrazide
CID 116844877

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethyl)imidazol-1-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[4-(2-aminoethyl)imidazol-1-yl]-2-pyridin-3-ylethanone (CID 112532326) is 1-[4-(2-aminoethyl)imidazol-1-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[4-(2-aminoethyl)imidazol-1-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[4-(2-aminoethyl)imidazol-1-yl]-2-pyridin-3-ylethanone is NCCc1cn(C(=O)Cc2cccnc2)cn1.
What is the InChIKey of 1-[4-(2-aminoethyl)imidazol-1-yl]-2-pyridin-3-ylethanone?
The InChIKey is PIGQUPSBBLBBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-4-3-11-8-16(9-15-11)12(17)6-10-2-1-5-14-7-10/h1-2,5,7-9H,3-4,6,13H2.
What are the key properties of 1-[4-(2-aminoethyl)imidazol-1-yl]-2-pyridin-3-ylethanone?
1-[4-(2-aminoethyl)imidazol-1-yl]-2-pyridin-3-ylethanone has a molecular weight of 230.27 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethyl)imidazol-1-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 112532326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).