3-[(6-amino-3,5-difluoro-2-pyridinyl)-propan-2-ylamino]propanenitrile

C11H14F2N4 — CID 114074352

IUPAC3-[(6-amino-3,5-difluoro-2-pyridinyl)-propan-2-ylamino]propanenitrile
SMILESCC(C)N(CCC#N)c1nc(N)c(F)cc1F
InChIInChI=1S/C11H14F2N4/c1-7(2)17(5-3-4-14)11-9(13)6-8(12)10(15)16-11/h6-7H,3,5H2,1-2H3,(H2,15,16)
InChIKeyRYBYGHREVJGAPJ-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.07
Rot. Bonds4

About 3-[(6-amino-3,5-difluoro-2-pyridinyl)-propan-2-ylamino]propanenitrile

3-[(6-amino-3,5-difluoro-2-pyridinyl)-propan-2-ylamino]propanenitrile (PubChem CID 114074352) has the molecular formula C11H14F2N4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-[(6-amino-3,5-difluoro-2-pyridinyl)-propan-2-ylamino]propanenitrile.

Molecular Properties

Compound Name3-[(6-amino-3,5-difluoro-2-pyridinyl)-propan-2-ylamino]propanenitrile
PubChem CID114074352
Molecular FormulaC11H14F2N4
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name3-[(6-amino-3,5-difluoro-2-pyridinyl)-propan-2-ylamino]propanenitrile
SMILESCC(C)N(CCC#N)c1nc(N)c(F)cc1F
InChIInChI=1S/C11H14F2N4/c1-7(2)17(5-3-4-14)11-9(13)6-8(12)10(15)16-11/h6-7H,3,5H2,1-2H3,(H2,15,16)
InChIKeyRYBYGHREVJGAPJ-UHFFFAOYSA-N
XLogP2.07
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-3,5-difluoro-2-pyridinyl)-propan-2-ylamino]propanenitrile?
The IUPAC name of 3-[(6-amino-3,5-difluoro-2-pyridinyl)-propan-2-ylamino]propanenitrile (CID 114074352) is 3-[(6-amino-3,5-difluoro-2-pyridinyl)-propan-2-ylamino]propanenitrile.
What is the SMILES notation for 3-[(6-amino-3,5-difluoro-2-pyridinyl)-propan-2-ylamino]propanenitrile?
The canonical SMILES for 3-[(6-amino-3,5-difluoro-2-pyridinyl)-propan-2-ylamino]propanenitrile is CC(C)N(CCC#N)c1nc(N)c(F)cc1F.
What is the InChIKey of 3-[(6-amino-3,5-difluoro-2-pyridinyl)-propan-2-ylamino]propanenitrile?
The InChIKey is RYBYGHREVJGAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N4/c1-7(2)17(5-3-4-14)11-9(13)6-8(12)10(15)16-11/h6-7H,3,5H2,1-2H3,(H2,15,16).
What are the key properties of 3-[(6-amino-3,5-difluoro-2-pyridinyl)-propan-2-ylamino]propanenitrile?
3-[(6-amino-3,5-difluoro-2-pyridinyl)-propan-2-ylamino]propanenitrile has a molecular weight of 240.26 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-3,5-difluoro-2-pyridinyl)-propan-2-ylamino]propanenitrile is sourced from PubChem (CID 114074352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).