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

C13H14N4 — CID 79106585

IUPAC2-[(2,5-dimethylpyrrol-1-yl)amino]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(Nn2c(C)ccc2C)n1
InChIInChI=1S/C13H14N4/c1-9-4-7-12(8-14)13(15-9)16-17-10(2)5-6-11(17)3/h4-7H,1-3H3,(H,15,16)
InChIKeyKEIXNJPAMOWERO-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.56
Rot. Bonds2

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

2-[(2,5-dimethylpyrrol-1-yl)amino]-6-methylpyridine-3-carbonitrile (PubChem CID 79106585) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[(2,5-dimethylpyrrol-1-yl)amino]-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2,5-dimethylpyrrol-1-yl)amino]-6-methylpyridine-3-carbonitrile
PubChem CID79106585
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name2-[(2,5-dimethylpyrrol-1-yl)amino]-6-methylpyridine-3-carbonitrile
SMILESCc1ccc(C#N)c(Nn2c(C)ccc2C)n1
InChIInChI=1S/C13H14N4/c1-9-4-7-12(8-14)13(15-9)16-17-10(2)5-6-11(17)3/h4-7H,1-3H3,(H,15,16)
InChIKeyKEIXNJPAMOWERO-UHFFFAOYSA-N
XLogP2.56
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2,5-dimethylpyrrol-1-yl)amino]-6-methylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylpyrrol-1-yl)amino]-6-methylpyridine-3-carbonitrile?
The IUPAC name of 2-[(2,5-dimethylpyrrol-1-yl)amino]-6-methylpyridine-3-carbonitrile (CID 79106585) is 2-[(2,5-dimethylpyrrol-1-yl)amino]-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2,5-dimethylpyrrol-1-yl)amino]-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(2,5-dimethylpyrrol-1-yl)amino]-6-methylpyridine-3-carbonitrile is Cc1ccc(C#N)c(Nn2c(C)ccc2C)n1.
What is the InChIKey of 2-[(2,5-dimethylpyrrol-1-yl)amino]-6-methylpyridine-3-carbonitrile?
The InChIKey is KEIXNJPAMOWERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-9-4-7-12(8-14)13(15-9)16-17-10(2)5-6-11(17)3/h4-7H,1-3H3,(H,15,16).
What are the key properties of 2-[(2,5-dimethylpyrrol-1-yl)amino]-6-methylpyridine-3-carbonitrile?
2-[(2,5-dimethylpyrrol-1-yl)amino]-6-methylpyridine-3-carbonitrile has a molecular weight of 226.28 g/mol, XLogP of 2.56, 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]-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 79106585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).