3-amino-6-(2-methylanilino)pyridine-2-carbonitrile

C13H12N4 — CID 103467468

IUPAC3-amino-6-(2-methylanilino)pyridine-2-carbonitrile
SMILESCc1ccccc1Nc1ccc(N)c(C#N)n1
InChIInChI=1S/C13H12N4/c1-9-4-2-3-5-11(9)16-13-7-6-10(15)12(8-14)17-13/h2-7H,15H2,1H3,(H,16,17)
InChIKeyOXFVKMBZXAVQHC-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.59
Rot. Bonds2

About 3-amino-6-(2-methylanilino)pyridine-2-carbonitrile

3-amino-6-(2-methylanilino)pyridine-2-carbonitrile (PubChem CID 103467468) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 3-amino-6-(2-methylanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-(2-methylanilino)pyridine-2-carbonitrile
PubChem CID103467468
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name3-amino-6-(2-methylanilino)pyridine-2-carbonitrile
SMILESCc1ccccc1Nc1ccc(N)c(C#N)n1
InChIInChI=1S/C13H12N4/c1-9-4-2-3-5-11(9)16-13-7-6-10(15)12(8-14)17-13/h2-7H,15H2,1H3,(H,16,17)
InChIKeyOXFVKMBZXAVQHC-UHFFFAOYSA-N
XLogP2.59
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-6-(2-chloro-6-methylanilino)pyridine-2-carbonitrile
CID 103468701
3-amino-6-(2-bromo-5-chloro-4-methylanilino)pyridine-2-carbonitrile
CID 103469069
3-amino-6-(naphthalen-2-ylamino)pyridine-2-carbonitrile
CID 10658994
3-amino-6-(3,5-dichloroanilino)pyridine-2-carbonitrile
CID 103467416
3-amino-6-(2-bromo-5-methoxyanilino)pyridine-2-carbonitrile
CID 103468643
3-amino-6-(4-methylsulfanylanilino)pyridine-2-carbonitrile
CID 103467393
3-amino-6-(1-phenylethylamino)pyridine-2-carbonitrile
CID 103467281
2-amino-5-(2-methylanilino)benzonitrile
CID 113323831
3-amino-6-(3,4,5-trifluoroanilino)pyridine-2-carbonitrile
CID 103468291
2-[(5-amino-6-propoxy-2-pyridinyl)amino]-6-methylbenzonitrile
CID 107802693
2-[[2-(2-methylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112901878
3-amino-6-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]pyridine-2-carbonitrile
CID 106183703

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(2-methylanilino)pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-(2-methylanilino)pyridine-2-carbonitrile (CID 103467468) is 3-amino-6-(2-methylanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-(2-methylanilino)pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-(2-methylanilino)pyridine-2-carbonitrile is Cc1ccccc1Nc1ccc(N)c(C#N)n1.
What is the InChIKey of 3-amino-6-(2-methylanilino)pyridine-2-carbonitrile?
The InChIKey is OXFVKMBZXAVQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-9-4-2-3-5-11(9)16-13-7-6-10(15)12(8-14)17-13/h2-7H,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-6-(2-methylanilino)pyridine-2-carbonitrile?
3-amino-6-(2-methylanilino)pyridine-2-carbonitrile has a molecular weight of 224.27 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(2-methylanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 103467468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).