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

C12H12N4 — CID 115490214

IUPAC5-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-2-carbonitrile
SMILESCc1ccc(C)n1Nc1ccc(C#N)nc1
InChIInChI=1S/C12H12N4/c1-9-3-4-10(2)16(9)15-12-6-5-11(7-13)14-8-12/h3-6,8,15H,1-2H3
InChIKeyVVXMRRLAWXFUDG-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.25
Rot. Bonds2

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

5-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-2-carbonitrile (PubChem CID 115490214) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 5-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-2-carbonitrile
PubChem CID115490214
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name5-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-2-carbonitrile
SMILESCc1ccc(C)n1Nc1ccc(C#N)nc1
InChIInChI=1S/C12H12N4/c1-9-3-4-10(2)16(9)15-12-6-5-11(7-13)14-8-12/h3-6,8,15H,1-2H3
InChIKeyVVXMRRLAWXFUDG-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

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5-[1-(2-chlorophenyl)ethylamino]pyridine-2-carbonitrile
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5-(2,2,3-trimethylbutylamino)pyridine-2-carbonitrile
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5-(3,4-dichloroanilino)pyridine-2-carbonitrile
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5-(butan-2-ylamino)pyridine-2-carbonitrile
CID 79839653
ethane;5-methylpyridine-2-carbonitrile
CID 143546182
5-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyridine-2-carbonitrile
CID 79839784
5-[(6-methyl-3-pyridinyl)methylamino]pyridine-2-carbonitrile
CID 79839878
5-(4-bromo-2,6-dimethylanilino)pyridine-2-carbonitrile
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5-(3-methylpentan-3-ylamino)pyridine-2-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-2-carbonitrile (CID 115490214) is 5-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-2-carbonitrile is Cc1ccc(C)n1Nc1ccc(C#N)nc1.
What is the InChIKey of 5-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-2-carbonitrile?
The InChIKey is VVXMRRLAWXFUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-9-3-4-10(2)16(9)15-12-6-5-11(7-13)14-8-12/h3-6,8,15H,1-2H3.
What are the key properties of 5-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-2-carbonitrile?
5-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-2-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 5-[(2,5-dimethylpyrrol-1-yl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 115490214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).