3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]pyridine-2-carbonitrile

C13H15N5 — CID 62895253

IUPAC3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]pyridine-2-carbonitrile
SMILESCn1ccnc1CCNCc1cccnc1C#N
InChIInChI=1S/C13H15N5/c1-18-8-7-17-13(18)4-6-15-10-11-3-2-5-16-12(11)9-14/h2-3,5,7-8,15H,4,6,10H2,1H3
InChIKeyZRFCEYOZOVMWPT-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.02
Rot. Bonds5

About 3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]pyridine-2-carbonitrile

3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]pyridine-2-carbonitrile (PubChem CID 62895253) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]pyridine-2-carbonitrile
PubChem CID62895253
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]pyridine-2-carbonitrile
SMILESCn1ccnc1CCNCc1cccnc1C#N
InChIInChI=1S/C13H15N5/c1-18-8-7-17-13(18)4-6-15-10-11-3-2-5-16-12(11)9-14/h2-3,5,7-8,15H,4,6,10H2,1H3
InChIKeyZRFCEYOZOVMWPT-UHFFFAOYSA-N
XLogP1.02
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1-methylimidazol-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 114527554
3-[(2-pyridin-2-ylethylamino)methyl]pyridine-2-carbonitrile
CID 55127965
3-[[2-(2-fluorophenyl)ethylamino]methyl]pyridine-2-carbonitrile
CID 62895527
N-[(2-ethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61214849
3-[(2-methylsulfonylethylamino)methyl]pyridine-2-carbonitrile
CID 62894530
2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 61214868
2-methoxy-5-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]benzonitrile
CID 65341146
3-[(2-cyclopentylethylamino)methyl]pyridine-2-carbonitrile
CID 62893680
3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile
CID 62895521
3-[(5-hydroxypentylamino)methyl]pyridine-2-carbonitrile
CID 107317244
3-[[2-(cyclohexen-1-yl)ethylamino]methyl]pyridine-2-carbonitrile
CID 55128646
N-(1-benzothiophen-3-ylmethyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 55108547

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]pyridine-2-carbonitrile (CID 62895253) is 3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]pyridine-2-carbonitrile is Cn1ccnc1CCNCc1cccnc1C#N.
What is the InChIKey of 3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]pyridine-2-carbonitrile?
The InChIKey is ZRFCEYOZOVMWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-18-8-7-17-13(18)4-6-15-10-11-3-2-5-16-12(11)9-14/h2-3,5,7-8,15H,4,6,10H2,1H3.
What are the key properties of 3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]pyridine-2-carbonitrile?
3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]pyridine-2-carbonitrile has a molecular weight of 241.30 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62895253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).