5-[(2-propan-2-yloxan-3-yl)methylamino]pyridine-2-carbonitrile

C15H21N3O — CID 136513353

IUPAC5-[(2-propan-2-yloxan-3-yl)methylamino]pyridine-2-carbonitrile
SMILESCC(C)C1OCCCC1CNc1ccc(C#N)nc1
InChIInChI=1S/C15H21N3O/c1-11(2)15-12(4-3-7-19-15)9-17-14-6-5-13(8-16)18-10-14/h5-6,10-12,15,17H,3-4,7,9H2,1-2H3
InChIKeyLTUPEGNBJAUPHR-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.82
Rot. Bonds4

About 5-[(2-propan-2-yloxan-3-yl)methylamino]pyridine-2-carbonitrile

5-[(2-propan-2-yloxan-3-yl)methylamino]pyridine-2-carbonitrile (PubChem CID 136513353) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-[(2-propan-2-yloxan-3-yl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2-propan-2-yloxan-3-yl)methylamino]pyridine-2-carbonitrile
PubChem CID136513353
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-[(2-propan-2-yloxan-3-yl)methylamino]pyridine-2-carbonitrile
SMILESCC(C)C1OCCCC1CNc1ccc(C#N)nc1
InChIInChI=1S/C15H21N3O/c1-11(2)15-12(4-3-7-19-15)9-17-14-6-5-13(8-16)18-10-14/h5-6,10-12,15,17H,3-4,7,9H2,1-2H3
InChIKeyLTUPEGNBJAUPHR-UHFFFAOYSA-N
XLogP2.82
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-propan-2-yloxan-3-yl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(2-propan-2-yloxan-3-yl)methylamino]pyridine-2-carbonitrile (CID 136513353) is 5-[(2-propan-2-yloxan-3-yl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(2-propan-2-yloxan-3-yl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(2-propan-2-yloxan-3-yl)methylamino]pyridine-2-carbonitrile is CC(C)C1OCCCC1CNc1ccc(C#N)nc1.
What is the InChIKey of 5-[(2-propan-2-yloxan-3-yl)methylamino]pyridine-2-carbonitrile?
The InChIKey is LTUPEGNBJAUPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)15-12(4-3-7-19-15)9-17-14-6-5-13(8-16)18-10-14/h5-6,10-12,15,17H,3-4,7,9H2,1-2H3.
What are the key properties of 5-[(2-propan-2-yloxan-3-yl)methylamino]pyridine-2-carbonitrile?
5-[(2-propan-2-yloxan-3-yl)methylamino]pyridine-2-carbonitrile has a molecular weight of 259.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propan-2-yloxan-3-yl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 136513353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).