3-[3-(2-fluoro-N-methylanilino)propylamino]pyrazine-2-carbonitrile

C15H16FN5 — CID 133283909

IUPAC3-[3-(2-fluoro-N-methylanilino)propylamino]pyrazine-2-carbonitrile
SMILESCN(CCCNc1nccnc1C#N)c1ccccc1F
InChIInChI=1S/C15H16FN5/c1-21(14-6-3-2-5-12(14)16)10-4-7-19-15-13(11-17)18-8-9-20-15/h2-3,5-6,8-9H,4,7,10H2,1H3,(H,19,20)
InChIKeyOZCCQXNIDAJADP-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.43
Rot. Bonds6

About 3-[3-(2-fluoro-N-methylanilino)propylamino]pyrazine-2-carbonitrile

3-[3-(2-fluoro-N-methylanilino)propylamino]pyrazine-2-carbonitrile (PubChem CID 133283909) has the molecular formula C15H16FN5 and a molecular weight of 285.33 g/mol. Its IUPAC name is 3-[3-(2-fluoro-N-methylanilino)propylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[3-(2-fluoro-N-methylanilino)propylamino]pyrazine-2-carbonitrile
PubChem CID133283909
Molecular FormulaC15H16FN5
Molecular Weight285.33 g/mol
Exact Mass285.14
IUPAC Name3-[3-(2-fluoro-N-methylanilino)propylamino]pyrazine-2-carbonitrile
SMILESCN(CCCNc1nccnc1C#N)c1ccccc1F
InChIInChI=1S/C15H16FN5/c1-21(14-6-3-2-5-12(14)16)10-4-7-19-15-13(11-17)18-8-9-20-15/h2-3,5-6,8-9H,4,7,10H2,1H3,(H,19,20)
InChIKeyOZCCQXNIDAJADP-UHFFFAOYSA-N
XLogP2.43
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.43
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-[3-(2-fluoro-N-methylanilino)propylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[3-(2-fluoro-N-methylanilino)propylamino]pyrazine-2-carbonitrile (CID 133283909) is 3-[3-(2-fluoro-N-methylanilino)propylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[3-(2-fluoro-N-methylanilino)propylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[3-(2-fluoro-N-methylanilino)propylamino]pyrazine-2-carbonitrile is CN(CCCNc1nccnc1C#N)c1ccccc1F.
What is the InChIKey of 3-[3-(2-fluoro-N-methylanilino)propylamino]pyrazine-2-carbonitrile?
The InChIKey is OZCCQXNIDAJADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5/c1-21(14-6-3-2-5-12(14)16)10-4-7-19-15-13(11-17)18-8-9-20-15/h2-3,5-6,8-9H,4,7,10H2,1H3,(H,19,20).
What are the key properties of 3-[3-(2-fluoro-N-methylanilino)propylamino]pyrazine-2-carbonitrile?
3-[3-(2-fluoro-N-methylanilino)propylamino]pyrazine-2-carbonitrile has a molecular weight of 285.33 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluoro-N-methylanilino)propylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133283909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).