4-(dibutylamino)pyridine-2-carbonitrile

C14H21N3 — CID 62924779

IUPAC4-(dibutylamino)pyridine-2-carbonitrile
SMILESCCCCN(CCCC)c1ccnc(C#N)c1
InChIInChI=1S/C14H21N3/c1-3-5-9-17(10-6-4-2)14-7-8-16-13(11-14)12-15/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyMPUHMINNNNLNGR-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.36
Rot. Bonds7

About 4-(dibutylamino)pyridine-2-carbonitrile

4-(dibutylamino)pyridine-2-carbonitrile (PubChem CID 62924779) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 4-(dibutylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(dibutylamino)pyridine-2-carbonitrile
PubChem CID62924779
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name4-(dibutylamino)pyridine-2-carbonitrile
SMILESCCCCN(CCCC)c1ccnc(C#N)c1
InChIInChI=1S/C14H21N3/c1-3-5-9-17(10-6-4-2)14-7-8-16-13(11-14)12-15/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyMPUHMINNNNLNGR-UHFFFAOYSA-N
XLogP3.36
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dibutylamino)pyridine-2-carbonitrile?
The IUPAC name of 4-(dibutylamino)pyridine-2-carbonitrile (CID 62924779) is 4-(dibutylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(dibutylamino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(dibutylamino)pyridine-2-carbonitrile is CCCCN(CCCC)c1ccnc(C#N)c1.
What is the InChIKey of 4-(dibutylamino)pyridine-2-carbonitrile?
The InChIKey is MPUHMINNNNLNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-3-5-9-17(10-6-4-2)14-7-8-16-13(11-14)12-15/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of 4-(dibutylamino)pyridine-2-carbonitrile?
4-(dibutylamino)pyridine-2-carbonitrile has a molecular weight of 231.34 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibutylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 62924779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).