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

C12H12N4 — CID 79107643

IUPAC6-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-3-carbonitrile
SMILESCc1ccc(C)n1Nc1ccc(C#N)cn1
InChIInChI=1S/C12H12N4/c1-9-3-4-10(2)16(9)15-12-6-5-11(7-13)8-14-12/h3-6,8H,1-2H3,(H,14,15)
InChIKeyWFYOZYXGANFIGS-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.25
Rot. Bonds2

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

6-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-3-carbonitrile (PubChem CID 79107643) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 6-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-3-carbonitrile
PubChem CID79107643
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name6-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-3-carbonitrile
SMILESCc1ccc(C)n1Nc1ccc(C#N)cn1
InChIInChI=1S/C12H12N4/c1-9-3-4-10(2)16(9)15-12-6-5-11(7-13)8-14-12/h3-6,8H,1-2H3,(H,14,15)
InChIKeyWFYOZYXGANFIGS-UHFFFAOYSA-N
XLogP2.25
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-3-carbonitrile (CID 79107643) is 6-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-3-carbonitrile is Cc1ccc(C)n1Nc1ccc(C#N)cn1.
What is the InChIKey of 6-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-3-carbonitrile?
The InChIKey is WFYOZYXGANFIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-9-3-4-10(2)16(9)15-12-6-5-11(7-13)8-14-12/h3-6,8H,1-2H3,(H,14,15).
What are the key properties of 6-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-3-carbonitrile?
6-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-3-carbonitrile has a molecular weight of 212.26 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 79107643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).