2-[butyl(ethyl)amino]pyridine-4-carbonitrile

C12H17N3 — CID 24696203

IUPAC2-[butyl(ethyl)amino]pyridine-4-carbonitrile
SMILESCCCCN(CC)c1cc(C#N)ccn1
InChIInChI=1S/C12H17N3/c1-3-5-8-15(4-2)12-9-11(10-13)6-7-14-12/h6-7,9H,3-5,8H2,1-2H3
InChIKeyWFCALAHEVROGER-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.58
Rot. Bonds5

About 2-[butyl(ethyl)amino]pyridine-4-carbonitrile

2-[butyl(ethyl)amino]pyridine-4-carbonitrile (PubChem CID 24696203) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]pyridine-4-carbonitrile
PubChem CID24696203
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-[butyl(ethyl)amino]pyridine-4-carbonitrile
SMILESCCCCN(CC)c1cc(C#N)ccn1
InChIInChI=1S/C12H17N3/c1-3-5-8-15(4-2)12-9-11(10-13)6-7-14-12/h6-7,9H,3-5,8H2,1-2H3
InChIKeyWFCALAHEVROGER-UHFFFAOYSA-N
XLogP2.58
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[butyl(ethyl)amino]pyridine-4-carbonitrile (CID 24696203) is 2-[butyl(ethyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[butyl(ethyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[butyl(ethyl)amino]pyridine-4-carbonitrile is CCCCN(CC)c1cc(C#N)ccn1.
What is the InChIKey of 2-[butyl(ethyl)amino]pyridine-4-carbonitrile?
The InChIKey is WFCALAHEVROGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-5-8-15(4-2)12-9-11(10-13)6-7-14-12/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of 2-[butyl(ethyl)amino]pyridine-4-carbonitrile?
2-[butyl(ethyl)amino]pyridine-4-carbonitrile has a molecular weight of 203.29 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 24696203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).