6-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethylamino]pyridine-2-carbonitrile

C16H14FN5 — CID 133392620

IUPAC6-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethylamino]pyridine-2-carbonitrile
SMILESCn1c(CCNc2cccc(C#N)n2)nc2ccc(F)cc21
InChIInChI=1S/C16H14FN5/c1-22-14-9-11(17)5-6-13(14)21-16(22)7-8-19-15-4-2-3-12(10-18)20-15/h2-6,9H,7-8H2,1H3,(H,19,20)
InChIKeyRSMWPNAMYZEYJV-UHFFFAOYSA-N
MW295.32 g/mol
LogP2.63
Rot. Bonds4

About 6-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethylamino]pyridine-2-carbonitrile

6-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethylamino]pyridine-2-carbonitrile (PubChem CID 133392620) has the molecular formula C16H14FN5 and a molecular weight of 295.32 g/mol. Its IUPAC name is 6-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethylamino]pyridine-2-carbonitrile
PubChem CID133392620
Molecular FormulaC16H14FN5
Molecular Weight295.32 g/mol
Exact Mass295.12
IUPAC Name6-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethylamino]pyridine-2-carbonitrile
SMILESCn1c(CCNc2cccc(C#N)n2)nc2ccc(F)cc21
InChIInChI=1S/C16H14FN5/c1-22-14-9-11(17)5-6-13(14)21-16(22)7-8-19-15-4-2-3-12(10-18)20-15/h2-6,9H,7-8H2,1H3,(H,19,20)
InChIKeyRSMWPNAMYZEYJV-UHFFFAOYSA-N
XLogP2.63
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethylamino]pyridine-2-carbonitrile?
The IUPAC name of 6-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethylamino]pyridine-2-carbonitrile (CID 133392620) is 6-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethylamino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethylamino]pyridine-2-carbonitrile is Cn1c(CCNc2cccc(C#N)n2)nc2ccc(F)cc21.
What is the InChIKey of 6-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethylamino]pyridine-2-carbonitrile?
The InChIKey is RSMWPNAMYZEYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5/c1-22-14-9-11(17)5-6-13(14)21-16(22)7-8-19-15-4-2-3-12(10-18)20-15/h2-6,9H,7-8H2,1H3,(H,19,20).
What are the key properties of 6-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethylamino]pyridine-2-carbonitrile?
6-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethylamino]pyridine-2-carbonitrile has a molecular weight of 295.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 133392620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).