5-(2-imidazol-1-ylethylamino)pyridine-2-carbonitrile

C11H11N5 — CID 115487555

IUPAC5-(2-imidazol-1-ylethylamino)pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCCn2ccnc2)cn1
InChIInChI=1S/C11H11N5/c12-7-10-1-2-11(8-15-10)14-4-6-16-5-3-13-9-16/h1-3,5,8-9,14H,4,6H2
InChIKeyHJFRYZNQMZIQPJ-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.26
Rot. Bonds4

About 5-(2-imidazol-1-ylethylamino)pyridine-2-carbonitrile

5-(2-imidazol-1-ylethylamino)pyridine-2-carbonitrile (PubChem CID 115487555) has the molecular formula C11H11N5 and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-(2-imidazol-1-ylethylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(2-imidazol-1-ylethylamino)pyridine-2-carbonitrile
PubChem CID115487555
Molecular FormulaC11H11N5
Molecular Weight213.24 g/mol
Exact Mass213.10
IUPAC Name5-(2-imidazol-1-ylethylamino)pyridine-2-carbonitrile
SMILESN#Cc1ccc(NCCn2ccnc2)cn1
InChIInChI=1S/C11H11N5/c12-7-10-1-2-11(8-15-10)14-4-6-16-5-3-13-9-16/h1-3,5,8-9,14H,4,6H2
InChIKeyHJFRYZNQMZIQPJ-UHFFFAOYSA-N
XLogP1.26
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-imidazol-1-ylpropan-2-ylamino)pyridine-2-carbonitrile
CID 113320580
4-(3-imidazol-1-ylpropylamino)pyridine-2-carbonitrile
CID 62924993
5-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carbonitrile
CID 104626517
2-(2-imidazol-1-ylethylamino)benzonitrile
CID 60677676
2-(3-imidazol-1-ylpropylamino)pyrimidine-4-carbonitrile
CID 107543580
5-[2-(4-methylpiperidin-1-yl)ethylamino]pyridine-2-carbonitrile
CID 79840155
5-[2-(ethylamino)ethylamino]pyridine-2-carbonitrile
CID 115490362
N-(3-imidazol-1-ylpropyl)pyrimidin-5-amine
CID 82539235
3-fluoro-N-(2-imidazol-1-ylethyl)aniline
CID 62564347
6-(3-imidazol-1-ylpropylamino)pyridine-3-carbonitrile
CID 28880579
3-chloro-2-(2-imidazol-1-ylethylamino)benzonitrile
CID 75484891
N-(2-imidazol-1-ylethyl)pyrimidin-4-amine
CID 61325111

Frequently Asked Questions

What is the IUPAC name of 5-(2-imidazol-1-ylethylamino)pyridine-2-carbonitrile?
The IUPAC name of 5-(2-imidazol-1-ylethylamino)pyridine-2-carbonitrile (CID 115487555) is 5-(2-imidazol-1-ylethylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(2-imidazol-1-ylethylamino)pyridine-2-carbonitrile?
The canonical SMILES for 5-(2-imidazol-1-ylethylamino)pyridine-2-carbonitrile is N#Cc1ccc(NCCn2ccnc2)cn1.
What is the InChIKey of 5-(2-imidazol-1-ylethylamino)pyridine-2-carbonitrile?
The InChIKey is HJFRYZNQMZIQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5/c12-7-10-1-2-11(8-15-10)14-4-6-16-5-3-13-9-16/h1-3,5,8-9,14H,4,6H2.
What are the key properties of 5-(2-imidazol-1-ylethylamino)pyridine-2-carbonitrile?
5-(2-imidazol-1-ylethylamino)pyridine-2-carbonitrile has a molecular weight of 213.24 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-imidazol-1-ylethylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 115487555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).