2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-6-methylpyridine-3-carbonitrile

C11H15N3O2 — CID 106186270

IUPAC2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-6-methylpyridine-3-carbonitrile
SMILESCOCC(CO)Nc1nc(C)ccc1C#N
InChIInChI=1S/C11H15N3O2/c1-8-3-4-9(5-12)11(13-8)14-10(6-15)7-16-2/h3-4,10,15H,6-7H2,1-2H3,(H,13,14)
InChIKeyGFYQALBYROONCU-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.68
Rot. Bonds5

About 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-6-methylpyridine-3-carbonitrile

2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-6-methylpyridine-3-carbonitrile (PubChem CID 106186270) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-6-methylpyridine-3-carbonitrile
PubChem CID106186270
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-6-methylpyridine-3-carbonitrile
SMILESCOCC(CO)Nc1nc(C)ccc1C#N
InChIInChI=1S/C11H15N3O2/c1-8-3-4-9(5-12)11(13-8)14-10(6-15)7-16-2/h3-4,10,15H,6-7H2,1-2H3,(H,13,14)
InChIKeyGFYQALBYROONCU-UHFFFAOYSA-N
XLogP0.68
TPSA78.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-6-methylpyridine-3-carbonitrile (CID 106186270) is 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-6-methylpyridine-3-carbonitrile is COCC(CO)Nc1nc(C)ccc1C#N.
What is the InChIKey of 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-6-methylpyridine-3-carbonitrile?
The InChIKey is GFYQALBYROONCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-3-4-9(5-12)11(13-8)14-10(6-15)7-16-2/h3-4,10,15H,6-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-6-methylpyridine-3-carbonitrile?
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-6-methylpyridine-3-carbonitrile has a molecular weight of 221.26 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 106186270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).