3-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile

C13H15N5 — CID 79985574

IUPAC3-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile
SMILESCNCCc1cn(Cc2cccnc2C#N)cn1
InChIInChI=1S/C13H15N5/c1-15-6-4-12-9-18(10-17-12)8-11-3-2-5-16-13(11)7-14/h2-3,5,9-10,15H,4,6,8H2,1H3
InChIKeyIXXCBGZHRHJQSV-UHFFFAOYSA-N
MW241.30 g/mol
LogP0.96
Rot. Bonds5

About 3-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile

3-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile (PubChem CID 79985574) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 3-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile
PubChem CID79985574
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name3-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile
SMILESCNCCc1cn(Cc2cccnc2C#N)cn1
InChIInChI=1S/C13H15N5/c1-15-6-4-12-9-18(10-17-12)8-11-3-2-5-16-13(11)7-14/h2-3,5,9-10,15H,4,6,8H2,1H3
InChIKeyIXXCBGZHRHJQSV-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile (CID 79985574) is 3-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile is CNCCc1cn(Cc2cccnc2C#N)cn1.
What is the InChIKey of 3-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile?
The InChIKey is IXXCBGZHRHJQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-15-6-4-12-9-18(10-17-12)8-11-3-2-5-16-13(11)7-14/h2-3,5,9-10,15H,4,6,8H2,1H3.
What are the key properties of 3-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile?
3-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile has a molecular weight of 241.30 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(methylamino)ethyl]imidazol-1-yl]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 79985574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).