2-amino-4-(3-methylanilino)pyridine-3-carbonitrile

C13H12N4 — CID 3076293

IUPAC2-amino-4-(3-methylanilino)pyridine-3-carbonitrile
SMILESCc1cccc(Nc2ccnc(N)c2C#N)c1
InChIInChI=1S/C13H12N4/c1-9-3-2-4-10(7-9)17-12-5-6-16-13(15)11(12)8-14/h2-7H,1H3,(H3,15,16,17)
InChIKeyWOXVKEFEHVKUMU-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.59
Rot. Bonds2

About 2-amino-4-(3-methylanilino)pyridine-3-carbonitrile

2-amino-4-(3-methylanilino)pyridine-3-carbonitrile (PubChem CID 3076293) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-amino-4-(3-methylanilino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-methylanilino)pyridine-3-carbonitrile
PubChem CID3076293
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name2-amino-4-(3-methylanilino)pyridine-3-carbonitrile
SMILESCc1cccc(Nc2ccnc(N)c2C#N)c1
InChIInChI=1S/C13H12N4/c1-9-3-2-4-10(7-9)17-12-5-6-16-13(15)11(12)8-14/h2-7H,1H3,(H3,15,16,17)
InChIKeyWOXVKEFEHVKUMU-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-methylanilino)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-methylanilino)pyridine-3-carbonitrile (CID 3076293) is 2-amino-4-(3-methylanilino)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-methylanilino)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-methylanilino)pyridine-3-carbonitrile is Cc1cccc(Nc2ccnc(N)c2C#N)c1.
What is the InChIKey of 2-amino-4-(3-methylanilino)pyridine-3-carbonitrile?
The InChIKey is WOXVKEFEHVKUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-9-3-2-4-10(7-9)17-12-5-6-16-13(15)11(12)8-14/h2-7H,1H3,(H3,15,16,17).
What are the key properties of 2-amino-4-(3-methylanilino)pyridine-3-carbonitrile?
2-amino-4-(3-methylanilino)pyridine-3-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 2-amino-4-(3-methylanilino)pyridine-3-carbonitrile is sourced from PubChem (CID 3076293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).