5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile

C14H16N4O — CID 103468095

IUPAC5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile
SMILESCc1cc(C(C)Nc2ncc(C#N)cc2N)c(C)o1
InChIInChI=1S/C14H16N4O/c1-8-4-12(10(3)19-8)9(2)18-14-13(16)5-11(6-15)7-17-14/h4-5,7,9H,16H2,1-3H3,(H,17,18)
InChIKeyOMEZIKKDUMPLJY-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.92
Rot. Bonds3

About 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile

5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile (PubChem CID 103468095) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile
PubChem CID103468095
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile
SMILESCc1cc(C(C)Nc2ncc(C#N)cc2N)c(C)o1
InChIInChI=1S/C14H16N4O/c1-8-4-12(10(3)19-8)9(2)18-14-13(16)5-11(6-15)7-17-14/h4-5,7,9H,16H2,1-3H3,(H,17,18)
InChIKeyOMEZIKKDUMPLJY-UHFFFAOYSA-N
XLogP2.92
TPSA87.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carbonitrile
CID 103468728
5-amino-6-[1-(4-methoxyphenyl)ethylamino]pyridine-3-carbonitrile
CID 103468700
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyrimidin-4-amine
CID 66339690
2-[[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyridine-3-carbonitrile
CID 94006979
5-amino-6-(2-methylpentan-3-ylamino)pyridine-3-carbonitrile
CID 103467864
4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80814407
4-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2-methyl-1H-imidazole-4,5-diamine
CID 115000740
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 81042486
methyl 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-2-carboxylate
CID 114406184
5-amino-6-[(2-methyl-1-thiophen-2-ylpropyl)amino]pyridine-3-carbonitrile
CID 103467928
5-bromo-N-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-(trifluoromethyl)pyridin-2-amine
CID 106796117
5-amino-6-(2,3,3-trimethylbutylamino)pyridine-3-carbonitrile
CID 103468967

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile (CID 103468095) is 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile is Cc1cc(C(C)Nc2ncc(C#N)cc2N)c(C)o1.
What is the InChIKey of 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile?
The InChIKey is OMEZIKKDUMPLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-8-4-12(10(3)19-8)9(2)18-14-13(16)5-11(6-15)7-17-14/h4-5,7,9H,16H2,1-3H3,(H,17,18).
What are the key properties of 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile?
5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile has a molecular weight of 256.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[1-(2,5-dimethylfuran-3-yl)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 103468095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).