6-[[(2R)-3-(dimethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpyridine-3-carbonitrile

C13H20N4O — CID 125446747

IUPAC6-[[(2R)-3-(dimethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NC[C@@H](O)CN(C)C)nc(C)c1C#N
InChIInChI=1S/C13H20N4O/c1-9-5-13(16-10(2)12(9)6-14)15-7-11(18)8-17(3)4/h5,11,18H,7-8H2,1-4H3,(H,15,16)/t11-/m1/s1
InChIKeyFHYCWZODQRIACW-LLVKDONJSA-N
MW248.33 g/mol
LogP0.90
Rot. Bonds5

About 6-[[(2R)-3-(dimethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpyridine-3-carbonitrile

6-[[(2R)-3-(dimethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpyridine-3-carbonitrile (PubChem CID 125446747) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-[[(2R)-3-(dimethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(2R)-3-(dimethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpyridine-3-carbonitrile
PubChem CID125446747
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name6-[[(2R)-3-(dimethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NC[C@@H](O)CN(C)C)nc(C)c1C#N
InChIInChI=1S/C13H20N4O/c1-9-5-13(16-10(2)12(9)6-14)15-7-11(18)8-17(3)4/h5,11,18H,7-8H2,1-4H3,(H,15,16)/t11-/m1/s1
InChIKeyFHYCWZODQRIACW-LLVKDONJSA-N
XLogP0.90
TPSA72.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-3-(dimethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpyridine-3-carbonitrile?
The IUPAC name of 6-[[(2R)-3-(dimethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpyridine-3-carbonitrile (CID 125446747) is 6-[[(2R)-3-(dimethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(2R)-3-(dimethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 6-[[(2R)-3-(dimethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpyridine-3-carbonitrile is Cc1cc(NC[C@@H](O)CN(C)C)nc(C)c1C#N.
What is the InChIKey of 6-[[(2R)-3-(dimethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpyridine-3-carbonitrile?
The InChIKey is FHYCWZODQRIACW-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-5-13(16-10(2)12(9)6-14)15-7-11(18)8-17(3)4/h5,11,18H,7-8H2,1-4H3,(H,15,16)/t11-/m1/s1.
What are the key properties of 6-[[(2R)-3-(dimethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpyridine-3-carbonitrile?
6-[[(2R)-3-(dimethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpyridine-3-carbonitrile has a molecular weight of 248.33 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-3-(dimethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 125446747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).