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

C11H12N4O — CID 112532393

IUPAC[4-(2-aminoethyl)imidazol-1-yl]-pyridin-3-ylmethanone
SMILESNCCc1cn(C(=O)c2cccnc2)cn1
InChIInChI=1S/C11H12N4O/c12-4-3-10-7-15(8-14-10)11(16)9-2-1-5-13-6-9/h1-2,5-8H,3-4,12H2
InChIKeyFBYVCGVJCUUETQ-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.47
Rot. Bonds3

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

[4-(2-aminoethyl)imidazol-1-yl]-pyridin-3-ylmethanone (PubChem CID 112532393) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is [4-(2-aminoethyl)imidazol-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(2-aminoethyl)imidazol-1-yl]-pyridin-3-ylmethanone
PubChem CID112532393
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name[4-(2-aminoethyl)imidazol-1-yl]-pyridin-3-ylmethanone
SMILESNCCc1cn(C(=O)c2cccnc2)cn1
InChIInChI=1S/C11H12N4O/c12-4-3-10-7-15(8-14-10)11(16)9-2-1-5-13-6-9/h1-2,5-8H,3-4,12H2
InChIKeyFBYVCGVJCUUETQ-UHFFFAOYSA-N
XLogP0.47
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-aminoethyl)imidazol-1-yl]-2-pyridin-3-ylethanone
CID 112532326
2-(1-imidazol-1-ylimidazol-4-yl)ethanamine
CID 175322822
2-aminoacetic acid;bis(pyridine-3-carboxylic acid)
CID 146402763
N-[[4-(2-aminoethyl)phenyl]methyl]pyridine-3-carboxamide
CID 62502833
1-pyridin-3-ylethanone;hydrochloride
CID 69233376
methane;pyridine-3-carboxamide
CID 19390506
CID 175154223
CID 175154223
benzene;pyridine-3-carboxamide
CID 66766032
(4,4-dimethyl-1-pyridinyl)-pyridin-3-ylmethanone
CID 14155741
N-sulfanylidenepyridine-3-carboxamide
CID 23289350
azane;platinum(4+);pyridine-3-carboxamide;dichloride
CID 71548674
[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71063622

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)imidazol-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(2-aminoethyl)imidazol-1-yl]-pyridin-3-ylmethanone (CID 112532393) is [4-(2-aminoethyl)imidazol-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(2-aminoethyl)imidazol-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(2-aminoethyl)imidazol-1-yl]-pyridin-3-ylmethanone is NCCc1cn(C(=O)c2cccnc2)cn1.
What is the InChIKey of [4-(2-aminoethyl)imidazol-1-yl]-pyridin-3-ylmethanone?
The InChIKey is FBYVCGVJCUUETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c12-4-3-10-7-15(8-14-10)11(16)9-2-1-5-13-6-9/h1-2,5-8H,3-4,12H2.
What are the key properties of [4-(2-aminoethyl)imidazol-1-yl]-pyridin-3-ylmethanone?
[4-(2-aminoethyl)imidazol-1-yl]-pyridin-3-ylmethanone has a molecular weight of 216.24 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)imidazol-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 112532393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).