5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile

C13H19N3 — CID 102609041

IUPAC5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile
SMILESCC(C)C(C)(C)CNc1ccc(C#N)nc1
InChIInChI=1S/C13H19N3/c1-10(2)13(3,4)9-16-12-6-5-11(7-14)15-8-12/h5-6,8,10,16H,9H2,1-4H3
InChIKeyADYCYJILSRDSRN-UHFFFAOYSA-N
MW217.32 g/mol
LogP3.05
Rot. Bonds4

About 5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile

5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile (PubChem CID 102609041) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile
PubChem CID102609041
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile
SMILESCC(C)C(C)(C)CNc1ccc(C#N)nc1
InChIInChI=1S/C13H19N3/c1-10(2)13(3,4)9-16-12-6-5-11(7-14)15-8-12/h5-6,8,10,16H,9H2,1-4H3
InChIKeyADYCYJILSRDSRN-UHFFFAOYSA-N
XLogP3.05
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(butan-2-ylamino)pyridine-2-carbonitrile
CID 79839653
5-[(3-hydroxy-2-methylpropyl)amino]pyridine-2-carbonitrile
CID 79839884
5-(2-methylbutan-2-ylamino)pyridine-2-carbonitrile
CID 115487385
5-(3-methylpentan-3-ylamino)pyridine-2-carbonitrile
CID 106328906
5-[(2-hydroxy-4-methylpentyl)amino]pyridine-2-carbonitrile
CID 103736448
5-(2-methylsulfinylpropylamino)pyridine-2-carbonitrile
CID 115764283
5-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]pyridine-2-carbonitrile
CID 79839810
5-[[2-(dimethylamino)-4-methylpentyl]amino]pyridine-2-carbonitrile
CID 133334959
5-(2-methylprop-2-enylamino)pyridine-2-carbonitrile
CID 114617316
5-[2-(ethylamino)ethylamino]pyridine-2-carbonitrile
CID 115490362
5-[1-(diethylamino)propan-2-ylamino]pyridine-2-carbonitrile
CID 79839031
5-[(1-methylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 103736721

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile?
The IUPAC name of 5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile (CID 102609041) is 5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile?
The canonical SMILES for 5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile is CC(C)C(C)(C)CNc1ccc(C#N)nc1.
What is the InChIKey of 5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile?
The InChIKey is ADYCYJILSRDSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-10(2)13(3,4)9-16-12-6-5-11(7-14)15-8-12/h5-6,8,10,16H,9H2,1-4H3.
What are the key properties of 5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile?
5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile has a molecular weight of 217.32 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 102609041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).