2-[[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyridine-3-carbonitrile

C14H15N3O — CID 94006979

IUPAC2-[[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyridine-3-carbonitrile
SMILESCc1cc([C@H](C)Nc2ncccc2C#N)c(C)o1
InChIInChI=1S/C14H15N3O/c1-9-7-13(11(3)18-9)10(2)17-14-12(8-15)5-4-6-16-14/h4-7,10H,1-3H3,(H,16,17)/t10-/m0/s1
InChIKeyWEZVHYNRNWDIQL-JTQLQIEISA-N
MW241.29 g/mol
LogP3.34
Rot. Bonds3

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

2-[[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyridine-3-carbonitrile (PubChem CID 94006979) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyridine-3-carbonitrile
PubChem CID94006979
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-[[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyridine-3-carbonitrile
SMILESCc1cc([C@H](C)Nc2ncccc2C#N)c(C)o1
InChIInChI=1S/C14H15N3O/c1-9-7-13(11(3)18-9)10(2)17-14-12(8-15)5-4-6-16-14/h4-7,10H,1-3H3,(H,16,17)/t10-/m0/s1
InChIKeyWEZVHYNRNWDIQL-JTQLQIEISA-N
XLogP3.34
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyridine-3-carbonitrile (CID 94006979) is 2-[[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyridine-3-carbonitrile is Cc1cc([C@H](C)Nc2ncccc2C#N)c(C)o1.
What is the InChIKey of 2-[[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyridine-3-carbonitrile?
The InChIKey is WEZVHYNRNWDIQL-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-7-13(11(3)18-9)10(2)17-14-12(8-15)5-4-6-16-14/h4-7,10H,1-3H3,(H,16,17)/t10-/m0/s1.
What are the key properties of 2-[[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyridine-3-carbonitrile?
2-[[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyridine-3-carbonitrile has a molecular weight of 241.29 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 94006979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).