4-methyl-2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile

C13H19N3 — CID 106328949

IUPAC4-methyl-2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile
SMILESCCC(C)(CC)Nc1nccc(C)c1C#N
InChIInChI=1S/C13H19N3/c1-5-13(4,6-2)16-12-11(9-14)10(3)7-8-15-12/h7-8H,5-6H2,1-4H3,(H,15,16)
InChIKeyINMYOWHYGTWULK-UHFFFAOYSA-N
MW217.32 g/mol
LogP3.25
Rot. Bonds4

About 4-methyl-2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile

4-methyl-2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile (PubChem CID 106328949) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 4-methyl-2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile
PubChem CID106328949
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name4-methyl-2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile
SMILESCCC(C)(CC)Nc1nccc(C)c1C#N
InChIInChI=1S/C13H19N3/c1-5-13(4,6-2)16-12-11(9-14)10(3)7-8-15-12/h7-8H,5-6H2,1-4H3,(H,15,16)
InChIKeyINMYOWHYGTWULK-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-hydroxy-3-methylpentan-3-yl)amino]-4-methylpyridine-3-carbonitrile
CID 113412332
2-[(2-amino-2-ethylbutyl)amino]-4-methylpyridine-3-carbonitrile
CID 113283263
3-bromo-4-methyl-N-(3-methylpentan-3-yl)pyridin-2-amine
CID 106329769
2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 106328911
4-methyl-2-(4,4,4-trifluorobutylamino)pyridine-3-carbonitrile
CID 113327555
2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carbonitrile
CID 113412232
2-(2-hydroxypropylamino)-4-methylpyridine-3-carbonitrile
CID 77184145
4-methyl-2-[(1-propylcyclopropyl)methylamino]pyridine-3-carbonitrile
CID 113412330
4-methyl-2-(3-propoxypropylamino)pyridine-3-carbonitrile
CID 82941151
2-(3-methylpentan-3-ylamino)pyridine-4-carbonitrile
CID 106328947
4-methyl-2-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile
CID 107268914
2-(4-hydroxypentylamino)-4-methylpyridine-3-carbonitrile
CID 107269156

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 4-methyl-2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile (CID 106328949) is 4-methyl-2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile is CCC(C)(CC)Nc1nccc(C)c1C#N.
What is the InChIKey of 4-methyl-2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile?
The InChIKey is INMYOWHYGTWULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-5-13(4,6-2)16-12-11(9-14)10(3)7-8-15-12/h7-8H,5-6H2,1-4H3,(H,15,16).
What are the key properties of 4-methyl-2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile?
4-methyl-2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile has a molecular weight of 217.32 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 106328949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).