2-(ethylamino)-4,5-dimethylpyridine-3-carbonitrile

C10H13N3 — CID 102345603

IUPAC2-(ethylamino)-4,5-dimethylpyridine-3-carbonitrile
SMILESCCNc1ncc(C)c(C)c1C#N
InChIInChI=1S/C10H13N3/c1-4-12-10-9(5-11)8(3)7(2)6-13-10/h6H,4H2,1-3H3,(H,12,13)
InChIKeyDDSXCYDTUGGJIL-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.00
Rot. Bonds2

About 2-(ethylamino)-4,5-dimethylpyridine-3-carbonitrile

2-(ethylamino)-4,5-dimethylpyridine-3-carbonitrile (PubChem CID 102345603) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(ethylamino)-4,5-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(ethylamino)-4,5-dimethylpyridine-3-carbonitrile
PubChem CID102345603
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name2-(ethylamino)-4,5-dimethylpyridine-3-carbonitrile
SMILESCCNc1ncc(C)c(C)c1C#N
InChIInChI=1S/C10H13N3/c1-4-12-10-9(5-11)8(3)7(2)6-13-10/h6H,4H2,1-3H3,(H,12,13)
InChIKeyDDSXCYDTUGGJIL-UHFFFAOYSA-N
XLogP2.00
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-3,5-dimethylpyridine-4-carbonitrile
CID 138475559
2-amino-4,5-dimethylpyridine-3-carbonitrile
CID 90296601
2-bromo-4,5-dimethylpyridine-3-carbonitrile
CID 12919740
5-chloro-2-(ethylamino)-4,6-dimethylpyridine-3-carbonitrile
CID 155040763
4-methyl-2-[(1-propylcyclopropyl)methylamino]pyridine-3-carbonitrile
CID 113412330
2-[(2-amino-2-ethylbutyl)amino]-4-methylpyridine-3-carbonitrile
CID 113283263
2-(2-ethylsulfonylethylamino)-4-methylpyridine-3-carbonitrile
CID 113412232
2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile
CID 80792497
4-methyl-2-(3-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 106328949
2-(2-hydroxypropylamino)-4-methylpyridine-3-carbonitrile
CID 77184145
3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 104506234
3-(ethylamino)pyrazine-2,5-dicarbonitrile
CID 57398215

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4,5-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(ethylamino)-4,5-dimethylpyridine-3-carbonitrile (CID 102345603) is 2-(ethylamino)-4,5-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(ethylamino)-4,5-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(ethylamino)-4,5-dimethylpyridine-3-carbonitrile is CCNc1ncc(C)c(C)c1C#N.
What is the InChIKey of 2-(ethylamino)-4,5-dimethylpyridine-3-carbonitrile?
The InChIKey is DDSXCYDTUGGJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-4-12-10-9(5-11)8(3)7(2)6-13-10/h6H,4H2,1-3H3,(H,12,13).
What are the key properties of 2-(ethylamino)-4,5-dimethylpyridine-3-carbonitrile?
2-(ethylamino)-4,5-dimethylpyridine-3-carbonitrile has a molecular weight of 175.23 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4,5-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 102345603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).