6-[[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridine-2-carbonitrile

C14H18N6 — CID 133304739

IUPAC6-[[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridine-2-carbonitrile
SMILESCN(C)C(CNc1cccc(C#N)n1)c1cnn(C)c1
InChIInChI=1S/C14H18N6/c1-19(2)13(11-8-17-20(3)10-11)9-16-14-6-4-5-12(7-15)18-14/h4-6,8,10,13H,9H2,1-3H3,(H,16,18)
InChIKeyDDVVZLCXUYYNQS-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.40
Rot. Bonds5

About 6-[[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridine-2-carbonitrile

6-[[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridine-2-carbonitrile (PubChem CID 133304739) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 6-[[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridine-2-carbonitrile
PubChem CID133304739
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name6-[[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridine-2-carbonitrile
SMILESCN(C)C(CNc1cccc(C#N)n1)c1cnn(C)c1
InChIInChI=1S/C14H18N6/c1-19(2)13(11-8-17-20(3)10-11)9-16-14-6-4-5-12(7-15)18-14/h4-6,8,10,13H,9H2,1-3H3,(H,16,18)
InChIKeyDDVVZLCXUYYNQS-UHFFFAOYSA-N
XLogP1.40
TPSA69.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridine-2-carbonitrile (CID 133304739) is 6-[[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridine-2-carbonitrile is CN(C)C(CNc1cccc(C#N)n1)c1cnn(C)c1.
What is the InChIKey of 6-[[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridine-2-carbonitrile?
The InChIKey is DDVVZLCXUYYNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-19(2)13(11-8-17-20(3)10-11)9-16-14-6-4-5-12(7-15)18-14/h4-6,8,10,13H,9H2,1-3H3,(H,16,18).
What are the key properties of 6-[[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridine-2-carbonitrile?
6-[[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridine-2-carbonitrile has a molecular weight of 270.34 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 133304739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).