2-methoxy-4-[1-[methyl(pyrazin-2-ylmethyl)amino]hex-5-en-2-yloxy]pyridine-3-carbonitrile

C19H23N5O2 — CID 56887650

IUPAC2-methoxy-4-[1-[methyl(pyrazin-2-ylmethyl)amino]hex-5-en-2-yloxy]pyridine-3-carbonitrile
SMILESC=CCCC(CN(C)Cc1cnccn1)Oc1ccnc(OC)c1C#N
InChIInChI=1S/C19H23N5O2/c1-4-5-6-16(14-24(2)13-15-12-21-9-10-22-15)26-18-7-8-23-19(25-3)17(18)11-20/h4,7-10,12,16H,1,5-6,13-14H2,2-3H3
InChIKeyBJSSPFYWEJBPOA-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.60
Rot. Bonds10

About 2-methoxy-4-[1-[methyl(pyrazin-2-ylmethyl)amino]hex-5-en-2-yloxy]pyridine-3-carbonitrile

2-methoxy-4-[1-[methyl(pyrazin-2-ylmethyl)amino]hex-5-en-2-yloxy]pyridine-3-carbonitrile (PubChem CID 56887650) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-methoxy-4-[1-[methyl(pyrazin-2-ylmethyl)amino]hex-5-en-2-yloxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methoxy-4-[1-[methyl(pyrazin-2-ylmethyl)amino]hex-5-en-2-yloxy]pyridine-3-carbonitrile
PubChem CID56887650
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name2-methoxy-4-[1-[methyl(pyrazin-2-ylmethyl)amino]hex-5-en-2-yloxy]pyridine-3-carbonitrile
SMILESC=CCCC(CN(C)Cc1cnccn1)Oc1ccnc(OC)c1C#N
InChIInChI=1S/C19H23N5O2/c1-4-5-6-16(14-24(2)13-15-12-21-9-10-22-15)26-18-7-8-23-19(25-3)17(18)11-20/h4,7-10,12,16H,1,5-6,13-14H2,2-3H3
InChIKeyBJSSPFYWEJBPOA-UHFFFAOYSA-N
XLogP2.60
TPSA84.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-methoxy-4-[1-[methyl(pyrazin-2-ylmethyl)amino]hex-5-en-2-yloxy]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-[methyl(pyrazin-2-ylmethyl)amino]hex-5-en-2-yloxy]pyridine-3-carbonitrile?
The IUPAC name of 2-methoxy-4-[1-[methyl(pyrazin-2-ylmethyl)amino]hex-5-en-2-yloxy]pyridine-3-carbonitrile (CID 56887650) is 2-methoxy-4-[1-[methyl(pyrazin-2-ylmethyl)amino]hex-5-en-2-yloxy]pyridine-3-carbonitrile.
What is the SMILES notation for 2-methoxy-4-[1-[methyl(pyrazin-2-ylmethyl)amino]hex-5-en-2-yloxy]pyridine-3-carbonitrile?
The canonical SMILES for 2-methoxy-4-[1-[methyl(pyrazin-2-ylmethyl)amino]hex-5-en-2-yloxy]pyridine-3-carbonitrile is C=CCCC(CN(C)Cc1cnccn1)Oc1ccnc(OC)c1C#N.
What is the InChIKey of 2-methoxy-4-[1-[methyl(pyrazin-2-ylmethyl)amino]hex-5-en-2-yloxy]pyridine-3-carbonitrile?
The InChIKey is BJSSPFYWEJBPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-4-5-6-16(14-24(2)13-15-12-21-9-10-22-15)26-18-7-8-23-19(25-3)17(18)11-20/h4,7-10,12,16H,1,5-6,13-14H2,2-3H3.
What are the key properties of 2-methoxy-4-[1-[methyl(pyrazin-2-ylmethyl)amino]hex-5-en-2-yloxy]pyridine-3-carbonitrile?
2-methoxy-4-[1-[methyl(pyrazin-2-ylmethyl)amino]hex-5-en-2-yloxy]pyridine-3-carbonitrile has a molecular weight of 353.43 g/mol, XLogP of 2.60, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[1-[methyl(pyrazin-2-ylmethyl)amino]hex-5-en-2-yloxy]pyridine-3-carbonitrile is sourced from PubChem (CID 56887650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).