3-chloro-6-[3-(2-methylimidazol-1-yl)propylamino]pyridine-2-carbonitrile

C13H14ClN5 — CID 71996333

IUPAC3-chloro-6-[3-(2-methylimidazol-1-yl)propylamino]pyridine-2-carbonitrile
SMILESCc1nccn1CCCNc1ccc(Cl)c(C#N)n1
InChIInChI=1S/C13H14ClN5/c1-10-16-6-8-19(10)7-2-5-17-13-4-3-11(14)12(9-15)18-13/h3-4,6,8H,2,5,7H2,1H3,(H,17,18)
InChIKeyUUWSJPJXLWQPFO-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.61
Rot. Bonds5

About 3-chloro-6-[3-(2-methylimidazol-1-yl)propylamino]pyridine-2-carbonitrile

3-chloro-6-[3-(2-methylimidazol-1-yl)propylamino]pyridine-2-carbonitrile (PubChem CID 71996333) has the molecular formula C13H14ClN5 and a molecular weight of 275.74 g/mol. Its IUPAC name is 3-chloro-6-[3-(2-methylimidazol-1-yl)propylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-chloro-6-[3-(2-methylimidazol-1-yl)propylamino]pyridine-2-carbonitrile
PubChem CID71996333
Molecular FormulaC13H14ClN5
Molecular Weight275.74 g/mol
Exact Mass275.09
IUPAC Name3-chloro-6-[3-(2-methylimidazol-1-yl)propylamino]pyridine-2-carbonitrile
SMILESCc1nccn1CCCNc1ccc(Cl)c(C#N)n1
InChIInChI=1S/C13H14ClN5/c1-10-16-6-8-19(10)7-2-5-17-13-4-3-11(14)12(9-15)18-13/h3-4,6,8H,2,5,7H2,1H3,(H,17,18)
InChIKeyUUWSJPJXLWQPFO-UHFFFAOYSA-N
XLogP2.61
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.61
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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[3-(2-methylimidazol-1-yl)propylamino]pyridine-2-carbonitrile?
The IUPAC name of 3-chloro-6-[3-(2-methylimidazol-1-yl)propylamino]pyridine-2-carbonitrile (CID 71996333) is 3-chloro-6-[3-(2-methylimidazol-1-yl)propylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-chloro-6-[3-(2-methylimidazol-1-yl)propylamino]pyridine-2-carbonitrile?
The canonical SMILES for 3-chloro-6-[3-(2-methylimidazol-1-yl)propylamino]pyridine-2-carbonitrile is Cc1nccn1CCCNc1ccc(Cl)c(C#N)n1.
What is the InChIKey of 3-chloro-6-[3-(2-methylimidazol-1-yl)propylamino]pyridine-2-carbonitrile?
The InChIKey is UUWSJPJXLWQPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5/c1-10-16-6-8-19(10)7-2-5-17-13-4-3-11(14)12(9-15)18-13/h3-4,6,8H,2,5,7H2,1H3,(H,17,18).
What are the key properties of 3-chloro-6-[3-(2-methylimidazol-1-yl)propylamino]pyridine-2-carbonitrile?
3-chloro-6-[3-(2-methylimidazol-1-yl)propylamino]pyridine-2-carbonitrile has a molecular weight of 275.74 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[3-(2-methylimidazol-1-yl)propylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 71996333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).