6-[1-hydroxypropan-2-yl(methyl)amino]pyridine-2-carbonitrile

C10H13N3O — CID 115868730

IUPAC6-[1-hydroxypropan-2-yl(methyl)amino]pyridine-2-carbonitrile
SMILESCC(CO)N(C)c1cccc(C#N)n1
InChIInChI=1S/C10H13N3O/c1-8(7-14)13(2)10-5-3-4-9(6-11)12-10/h3-5,8,14H,7H2,1-2H3
InChIKeyUIIZLIGYBJEOJS-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.77
Rot. Bonds3

About 6-[1-hydroxypropan-2-yl(methyl)amino]pyridine-2-carbonitrile

6-[1-hydroxypropan-2-yl(methyl)amino]pyridine-2-carbonitrile (PubChem CID 115868730) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 6-[1-hydroxypropan-2-yl(methyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[1-hydroxypropan-2-yl(methyl)amino]pyridine-2-carbonitrile
PubChem CID115868730
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name6-[1-hydroxypropan-2-yl(methyl)amino]pyridine-2-carbonitrile
SMILESCC(CO)N(C)c1cccc(C#N)n1
InChIInChI=1S/C10H13N3O/c1-8(7-14)13(2)10-5-3-4-9(6-11)12-10/h3-5,8,14H,7H2,1-2H3
InChIKeyUIIZLIGYBJEOJS-UHFFFAOYSA-N
XLogP0.77
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[1-hydroxypropan-2-yl(methyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[1-hydroxypropan-2-yl(methyl)amino]pyridine-2-carbonitrile (CID 115868730) is 6-[1-hydroxypropan-2-yl(methyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[1-hydroxypropan-2-yl(methyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[1-hydroxypropan-2-yl(methyl)amino]pyridine-2-carbonitrile is CC(CO)N(C)c1cccc(C#N)n1.
What is the InChIKey of 6-[1-hydroxypropan-2-yl(methyl)amino]pyridine-2-carbonitrile?
The InChIKey is UIIZLIGYBJEOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8(7-14)13(2)10-5-3-4-9(6-11)12-10/h3-5,8,14H,7H2,1-2H3.
What are the key properties of 6-[1-hydroxypropan-2-yl(methyl)amino]pyridine-2-carbonitrile?
6-[1-hydroxypropan-2-yl(methyl)amino]pyridine-2-carbonitrile has a molecular weight of 191.23 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-hydroxypropan-2-yl(methyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 115868730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).