5-amino-2-[1-(oxolan-2-yl)ethylamino]pyridine-3-carbonitrile

C12H16N4O — CID 54860605

IUPAC5-amino-2-[1-(oxolan-2-yl)ethylamino]pyridine-3-carbonitrile
SMILESCC(Nc1ncc(N)cc1C#N)C1CCCO1
InChIInChI=1S/C12H16N4O/c1-8(11-3-2-4-17-11)16-12-9(6-13)5-10(14)7-15-12/h5,7-8,11H,2-4,14H2,1H3,(H,15,16)
InChIKeyHCXCWZFCOUNCJE-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.51
Rot. Bonds3

About 5-amino-2-[1-(oxolan-2-yl)ethylamino]pyridine-3-carbonitrile

5-amino-2-[1-(oxolan-2-yl)ethylamino]pyridine-3-carbonitrile (PubChem CID 54860605) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-amino-2-[1-(oxolan-2-yl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-[1-(oxolan-2-yl)ethylamino]pyridine-3-carbonitrile
PubChem CID54860605
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-amino-2-[1-(oxolan-2-yl)ethylamino]pyridine-3-carbonitrile
SMILESCC(Nc1ncc(N)cc1C#N)C1CCCO1
InChIInChI=1S/C12H16N4O/c1-8(11-3-2-4-17-11)16-12-9(6-13)5-10(14)7-15-12/h5,7-8,11H,2-4,14H2,1H3,(H,15,16)
InChIKeyHCXCWZFCOUNCJE-UHFFFAOYSA-N
XLogP1.51
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[1-(oxolan-2-yl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-[1-(oxolan-2-yl)ethylamino]pyridine-3-carbonitrile (CID 54860605) is 5-amino-2-[1-(oxolan-2-yl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-[1-(oxolan-2-yl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-[1-(oxolan-2-yl)ethylamino]pyridine-3-carbonitrile is CC(Nc1ncc(N)cc1C#N)C1CCCO1.
What is the InChIKey of 5-amino-2-[1-(oxolan-2-yl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is HCXCWZFCOUNCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8(11-3-2-4-17-11)16-12-9(6-13)5-10(14)7-15-12/h5,7-8,11H,2-4,14H2,1H3,(H,15,16).
What are the key properties of 5-amino-2-[1-(oxolan-2-yl)ethylamino]pyridine-3-carbonitrile?
5-amino-2-[1-(oxolan-2-yl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[1-(oxolan-2-yl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 54860605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).