4,6-dimethyl-2-(pent-1-yn-3-ylamino)pyridine-3-carbonitrile

C13H15N3 — CID 106230781

IUPAC4,6-dimethyl-2-(pent-1-yn-3-ylamino)pyridine-3-carbonitrile
SMILESC#CC(CC)Nc1nc(C)cc(C)c1C#N
InChIInChI=1S/C13H15N3/c1-5-11(6-2)16-13-12(8-14)9(3)7-10(4)15-13/h1,7,11H,6H2,2-4H3,(H,15,16)
InChIKeyBEIYIFLLUVJUEE-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.39
Rot. Bonds3

About 4,6-dimethyl-2-(pent-1-yn-3-ylamino)pyridine-3-carbonitrile

4,6-dimethyl-2-(pent-1-yn-3-ylamino)pyridine-3-carbonitrile (PubChem CID 106230781) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4,6-dimethyl-2-(pent-1-yn-3-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-(pent-1-yn-3-ylamino)pyridine-3-carbonitrile
PubChem CID106230781
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name4,6-dimethyl-2-(pent-1-yn-3-ylamino)pyridine-3-carbonitrile
SMILESC#CC(CC)Nc1nc(C)cc(C)c1C#N
InChIInChI=1S/C13H15N3/c1-5-11(6-2)16-13-12(8-14)9(3)7-10(4)15-13/h1,7,11H,6H2,2-4H3,(H,15,16)
InChIKeyBEIYIFLLUVJUEE-UHFFFAOYSA-N
XLogP2.39
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]-N-ethylpropanamide
CID 60658746
2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-4,6-dimethylpyridine-3-carbonitrile
CID 79249172
4,6-dimethyl-2-(octan-2-ylamino)pyridine-3-carbonitrile
CID 63510639
(3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide
CID 11008385
4,6-dimethyl-2-[1-(2-methylphenyl)ethylamino]pyridine-3-carbonitrile
CID 60704126
2-[1-(2-aminophenyl)ethylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 60871389
4,6-dimethyl-2-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-3-carbonitrile
CID 102906163
N-tert-butyl-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)amino]propanamide
CID 115626557
2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]-4,6-dimethylpyridine-3-carbonitrile
CID 103819962
4,6-dimethyl-2-(1-thiophen-3-ylethylamino)pyridine-3-carbonitrile
CID 62840867
4,6-dimethyl-2-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 63612589
4,6-dimethyl-2-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile
CID 78966758

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(pent-1-yn-3-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-(pent-1-yn-3-ylamino)pyridine-3-carbonitrile (CID 106230781) is 4,6-dimethyl-2-(pent-1-yn-3-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-(pent-1-yn-3-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-(pent-1-yn-3-ylamino)pyridine-3-carbonitrile is C#CC(CC)Nc1nc(C)cc(C)c1C#N.
What is the InChIKey of 4,6-dimethyl-2-(pent-1-yn-3-ylamino)pyridine-3-carbonitrile?
The InChIKey is BEIYIFLLUVJUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-5-11(6-2)16-13-12(8-14)9(3)7-10(4)15-13/h1,7,11H,6H2,2-4H3,(H,15,16).
What are the key properties of 4,6-dimethyl-2-(pent-1-yn-3-ylamino)pyridine-3-carbonitrile?
4,6-dimethyl-2-(pent-1-yn-3-ylamino)pyridine-3-carbonitrile has a molecular weight of 213.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(pent-1-yn-3-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 106230781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).