2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-6-methylpyridine-3-carbonitrile

C13H20N4O — CID 103878178

IUPAC2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NCC(C)(O)CN(C)C)n1
InChIInChI=1S/C13H20N4O/c1-10-5-6-11(7-14)12(16-10)15-8-13(2,18)9-17(3)4/h5-6,18H,8-9H2,1-4H3,(H,15,16)
InChIKeyCIMUKBSVEPELRC-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.99
Rot. Bonds5

About 2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-6-methylpyridine-3-carbonitrile

2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-6-methylpyridine-3-carbonitrile (PubChem CID 103878178) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-6-methylpyridine-3-carbonitrile
PubChem CID103878178
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(NCC(C)(O)CN(C)C)n1
InChIInChI=1S/C13H20N4O/c1-10-5-6-11(7-14)12(16-10)15-8-13(2,18)9-17(3)4/h5-6,18H,8-9H2,1-4H3,(H,15,16)
InChIKeyCIMUKBSVEPELRC-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-6-methylpyridine-3-carbonitrile (CID 103878178) is 2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(NCC(C)(O)CN(C)C)n1.
What is the InChIKey of 2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-6-methylpyridine-3-carbonitrile?
The InChIKey is CIMUKBSVEPELRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10-5-6-11(7-14)12(16-10)15-8-13(2,18)9-17(3)4/h5-6,18H,8-9H2,1-4H3,(H,15,16).
What are the key properties of 2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-6-methylpyridine-3-carbonitrile?
2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-6-methylpyridine-3-carbonitrile has a molecular weight of 248.33 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 103878178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).