6-(ethylamino)-2-methylpyridine-3-carbonitrile

C9H11N3 — CID 126981851

IUPAC6-(ethylamino)-2-methylpyridine-3-carbonitrile
SMILESCCNc1ccc(C#N)c(C)n1
InChIInChI=1S/C9H11N3/c1-3-11-9-5-4-8(6-10)7(2)12-9/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyVKWVUQKAGCVEPT-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.69
Rot. Bonds2

About 6-(ethylamino)-2-methylpyridine-3-carbonitrile

6-(ethylamino)-2-methylpyridine-3-carbonitrile (PubChem CID 126981851) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 6-(ethylamino)-2-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(ethylamino)-2-methylpyridine-3-carbonitrile
PubChem CID126981851
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name6-(ethylamino)-2-methylpyridine-3-carbonitrile
SMILESCCNc1ccc(C#N)c(C)n1
InChIInChI=1S/C9H11N3/c1-3-11-9-5-4-8(6-10)7(2)12-9/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyVKWVUQKAGCVEPT-UHFFFAOYSA-N
XLogP1.69
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-2-methylpyridine-3-carbonitrile?
The IUPAC name of 6-(ethylamino)-2-methylpyridine-3-carbonitrile (CID 126981851) is 6-(ethylamino)-2-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-(ethylamino)-2-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-(ethylamino)-2-methylpyridine-3-carbonitrile is CCNc1ccc(C#N)c(C)n1.
What is the InChIKey of 6-(ethylamino)-2-methylpyridine-3-carbonitrile?
The InChIKey is VKWVUQKAGCVEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-3-11-9-5-4-8(6-10)7(2)12-9/h4-5H,3H2,1-2H3,(H,11,12).
What are the key properties of 6-(ethylamino)-2-methylpyridine-3-carbonitrile?
6-(ethylamino)-2-methylpyridine-3-carbonitrile has a molecular weight of 161.21 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-2-methylpyridine-3-carbonitrile is sourced from PubChem (CID 126981851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).