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

C16H25N3 — CID 63510639

IUPAC4,6-dimethyl-2-(octan-2-ylamino)pyridine-3-carbonitrile
SMILESCCCCCCC(C)Nc1nc(C)cc(C)c1C#N
InChIInChI=1S/C16H25N3/c1-5-6-7-8-9-13(3)18-16-15(11-17)12(2)10-14(4)19-16/h10,13H,5-9H2,1-4H3,(H,18,19)
InChIKeyRDEDYHKCGBMMDB-UHFFFAOYSA-N
MW259.40 g/mol
LogP4.34
Rot. Bonds7

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

4,6-dimethyl-2-(octan-2-ylamino)pyridine-3-carbonitrile (PubChem CID 63510639) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 4,6-dimethyl-2-(octan-2-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-(octan-2-ylamino)pyridine-3-carbonitrile
PubChem CID63510639
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name4,6-dimethyl-2-(octan-2-ylamino)pyridine-3-carbonitrile
SMILESCCCCCCC(C)Nc1nc(C)cc(C)c1C#N
InChIInChI=1S/C16H25N3/c1-5-6-7-8-9-13(3)18-16-15(11-17)12(2)10-14(4)19-16/h10,13H,5-9H2,1-4H3,(H,18,19)
InChIKeyRDEDYHKCGBMMDB-UHFFFAOYSA-N
XLogP4.34
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4,6-dimethyl-2-octan-2-yloxypyridine-3-carbonitrile
CID 63512377
3,6-dimethyl-N-octan-2-ylpyrazin-2-amine
CID 65417975
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-4,6-dimethylpyridine-3-carbonitrile
CID 79249172
4,6-dimethyl-2-(pent-1-yn-3-ylamino)pyridine-3-carbonitrile
CID 106230781
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-ethylpropanamide
CID 60658746
4,6-dimethyl-2-(1-morpholin-4-ylpropan-2-ylamino)pyridine-3-carbonitrile
CID 60965079
2-methyl-4-(octan-2-ylamino)benzonitrile
CID 81273026
2,6-dimethyl-4-(pentan-2-ylamino)pyridine-3-carbonitrile
CID 81061203
(3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide
CID 11008385
4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carbonitrile
CID 102906163
3-bromo-5-methyl-N-octan-2-ylpyridin-2-amine
CID 105366826
2-chloro-5-methyl-N-octan-2-ylpyrimidin-4-amine
CID 79076093

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(octan-2-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-(octan-2-ylamino)pyridine-3-carbonitrile (CID 63510639) is 4,6-dimethyl-2-(octan-2-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-(octan-2-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-(octan-2-ylamino)pyridine-3-carbonitrile is CCCCCCC(C)Nc1nc(C)cc(C)c1C#N.
What is the InChIKey of 4,6-dimethyl-2-(octan-2-ylamino)pyridine-3-carbonitrile?
The InChIKey is RDEDYHKCGBMMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-5-6-7-8-9-13(3)18-16-15(11-17)12(2)10-14(4)19-16/h10,13H,5-9H2,1-4H3,(H,18,19).
What are the key properties of 4,6-dimethyl-2-(octan-2-ylamino)pyridine-3-carbonitrile?
4,6-dimethyl-2-(octan-2-ylamino)pyridine-3-carbonitrile has a molecular weight of 259.40 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(octan-2-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 63510639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).