2-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-4-carbonitrile

C12H12N4 — CID 79106792

IUPAC2-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-4-carbonitrile
SMILESCc1ccc(C)n1Nc1cc(C#N)ccn1
InChIInChI=1S/C12H12N4/c1-9-3-4-10(2)16(9)15-12-7-11(8-13)5-6-14-12/h3-7H,1-2H3,(H,14,15)
InChIKeyHIZNLXAMLYUZIU-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.25
Rot. Bonds2

About 2-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-4-carbonitrile

2-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-4-carbonitrile (PubChem CID 79106792) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-4-carbonitrile
PubChem CID79106792
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name2-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-4-carbonitrile
SMILESCc1ccc(C)n1Nc1cc(C#N)ccn1
InChIInChI=1S/C12H12N4/c1-9-3-4-10(2)16(9)15-12-7-11(8-13)5-6-14-12/h3-7H,1-2H3,(H,14,15)
InChIKeyHIZNLXAMLYUZIU-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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Related Compounds

N-(2,5-dimethylpyrrol-1-yl)-4-methylpyridin-2-amine
CID 79106888
6-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-3-carbonitrile
CID 79107643
2-methylpyridine-4-carbonitrile
CID 118703758
2-(3-methylbutan-2-ylamino)pyridine-4-carbonitrile
CID 43131440
2-anilinopyridine-4-carbonitrile
CID 24696970
2-(2-methylpropylamino)pyridine-4-carbonitrile
CID 24707878
2-[(6-methyl-2-pyridinyl)methylamino]pyridine-4-carbonitrile
CID 62307193
2-[2-(2-methylphenyl)ethylamino]pyridine-4-carbonitrile
CID 79749854
2-[[2-methyl-3-(methylamino)propyl]amino]pyridine-4-carbonitrile
CID 115302962
2-(2-methylbutan-2-ylamino)pyridine-4-carbonitrile
CID 24702082
2-[(2-amino-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 115303626
2-(3-methylpentan-3-ylamino)pyridine-4-carbonitrile
CID 106328947

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-4-carbonitrile (CID 79106792) is 2-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-4-carbonitrile is Cc1ccc(C)n1Nc1cc(C#N)ccn1.
What is the InChIKey of 2-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-4-carbonitrile?
The InChIKey is HIZNLXAMLYUZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-9-3-4-10(2)16(9)15-12-7-11(8-13)5-6-14-12/h3-7H,1-2H3,(H,14,15).
What are the key properties of 2-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-4-carbonitrile?
2-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-4-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 2-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 79106792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).