2-(1-phenoxypropan-2-ylamino)pyridine-3-carbonitrile

C15H15N3O — CID 47394904

IUPAC2-(1-phenoxypropan-2-ylamino)pyridine-3-carbonitrile
SMILESCC(COc1ccccc1)Nc1ncccc1C#N
InChIInChI=1S/C15H15N3O/c1-12(11-19-14-7-3-2-4-8-14)18-15-13(10-16)6-5-9-17-15/h2-9,12H,11H2,1H3,(H,17,18)
InChIKeyKKTJUHNYTSZQQB-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.83
Rot. Bonds5

About 2-(1-phenoxypropan-2-ylamino)pyridine-3-carbonitrile

2-(1-phenoxypropan-2-ylamino)pyridine-3-carbonitrile (PubChem CID 47394904) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(1-phenoxypropan-2-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(1-phenoxypropan-2-ylamino)pyridine-3-carbonitrile
PubChem CID47394904
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-(1-phenoxypropan-2-ylamino)pyridine-3-carbonitrile
SMILESCC(COc1ccccc1)Nc1ncccc1C#N
InChIInChI=1S/C15H15N3O/c1-12(11-19-14-7-3-2-4-8-14)18-15-13(10-16)6-5-9-17-15/h2-9,12H,11H2,1H3,(H,17,18)
InChIKeyKKTJUHNYTSZQQB-UHFFFAOYSA-N
XLogP2.83
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenoxypropan-2-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 2-(1-phenoxypropan-2-ylamino)pyridine-3-carbonitrile (CID 47394904) is 2-(1-phenoxypropan-2-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(1-phenoxypropan-2-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2-(1-phenoxypropan-2-ylamino)pyridine-3-carbonitrile is CC(COc1ccccc1)Nc1ncccc1C#N.
What is the InChIKey of 2-(1-phenoxypropan-2-ylamino)pyridine-3-carbonitrile?
The InChIKey is KKTJUHNYTSZQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-12(11-19-14-7-3-2-4-8-14)18-15-13(10-16)6-5-9-17-15/h2-9,12H,11H2,1H3,(H,17,18).
What are the key properties of 2-(1-phenoxypropan-2-ylamino)pyridine-3-carbonitrile?
2-(1-phenoxypropan-2-ylamino)pyridine-3-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenoxypropan-2-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 47394904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).