3-amino-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-4-carbonitrile

C11H17N5 — CID 82817077

IUPAC3-amino-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-4-carbonitrile
SMILESCCN(C)CCNc1nccc(C#N)c1N
InChIInChI=1S/C11H17N5/c1-3-16(2)7-6-15-11-10(13)9(8-12)4-5-14-11/h4-5H,3,6-7,13H2,1-2H3,(H,14,15)
InChIKeyFDJUEPYVDZLKSN-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.90
Rot. Bonds5

About 3-amino-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-4-carbonitrile

3-amino-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-4-carbonitrile (PubChem CID 82817077) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-amino-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-4-carbonitrile
PubChem CID82817077
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name3-amino-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-4-carbonitrile
SMILESCCN(C)CCNc1nccc(C#N)c1N
InChIInChI=1S/C11H17N5/c1-3-16(2)7-6-15-11-10(13)9(8-12)4-5-14-11/h4-5H,3,6-7,13H2,1-2H3,(H,14,15)
InChIKeyFDJUEPYVDZLKSN-UHFFFAOYSA-N
XLogP0.90
TPSA77.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-4-carbonitrile (CID 82817077) is 3-amino-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-4-carbonitrile is CCN(C)CCNc1nccc(C#N)c1N.
What is the InChIKey of 3-amino-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-4-carbonitrile?
The InChIKey is FDJUEPYVDZLKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-3-16(2)7-6-15-11-10(13)9(8-12)4-5-14-11/h4-5H,3,6-7,13H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-4-carbonitrile?
3-amino-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-4-carbonitrile has a molecular weight of 219.29 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 3-amino-2-[2-[ethyl(methyl)amino]ethylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 82817077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).