2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile

C13H19N3 — CID 81061203

IUPAC2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile
SMILESCCCC(C)Nc1cc(C)nc(C)c1C#N
InChIInChI=1S/C13H19N3/c1-5-6-9(2)16-13-7-10(3)15-11(4)12(13)8-14/h7,9H,5-6H2,1-4H3,(H,15,16)
InChIKeyFLXNPXXRMGCFTB-UHFFFAOYSA-N
MW217.32 g/mol
LogP3.17
Rot. Bonds4

About 2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile

2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile (PubChem CID 81061203) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile
PubChem CID81061203
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile
SMILESCCCC(C)Nc1cc(C)nc(C)c1C#N
InChIInChI=1S/C13H19N3/c1-5-6-9(2)16-13-7-10(3)15-11(4)12(13)8-14/h7,9H,5-6H2,1-4H3,(H,15,16)
InChIKeyFLXNPXXRMGCFTB-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(diethylamino)propan-2-ylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81060744
5-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]hexanoic acid
CID 82847005
4-(3,3-dimethylbutan-2-ylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 104828350
2,6-dimethyl-4-(3-methylbutylamino)pyridine-3-carbonitrile
CID 81042476
2,6-dimethyl-4-(1-pyridin-4-ylethylamino)pyridine-3-carbonitrile
CID 81060922
4-(2,2-difluoroethylamino)-2,6-dimethylpyridine-3-carbonitrile
CID 115282671
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81042486
2,6-dimethyl-4-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-3-carbonitrile
CID 81061348
4,6-dimethyl-2-(octan-2-ylamino)pyridine-3-carbonitrile
CID 63510639
4-[(2-hydroxy-2-methylpropyl)amino]-2,6-dimethylpyridine-3-carbonitrile
CID 81042969
4-[[2-(dimethylamino)-4-methylpentyl]amino]-2,6-dimethylpyridine-3-carbonitrile
CID 133396629
6-methyl-N-pentan-2-yl-2-propan-2-ylpyrimidin-4-amine
CID 43419817

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile (CID 81061203) is 2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile is CCCC(C)Nc1cc(C)nc(C)c1C#N.
What is the InChIKey of 2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile?
The InChIKey is FLXNPXXRMGCFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-5-6-9(2)16-13-7-10(3)15-11(4)12(13)8-14/h7,9H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile?
2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile has a molecular weight of 217.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 81061203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).