2-amino-6-(2-methylphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile

C18H14N4 — CID 5230351

IUPAC2-amino-6-(2-methylphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
SMILESCc1ccccc1-c1cc(-c2ccncc2)c(C#N)c(N)n1
InChIInChI=1S/C18H14N4/c1-12-4-2-3-5-14(12)17-10-15(13-6-8-21-9-7-13)16(11-19)18(20)22-17/h2-10H,1H3,(H2,20,22)
InChIKeyKJTSSPDDUDUVGH-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.57
Rot. Bonds2

About 2-amino-6-(2-methylphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile

2-amino-6-(2-methylphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile (PubChem CID 5230351) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-amino-6-(2-methylphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-methylphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
PubChem CID5230351
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name2-amino-6-(2-methylphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
SMILESCc1ccccc1-c1cc(-c2ccncc2)c(C#N)c(N)n1
InChIInChI=1S/C18H14N4/c1-12-4-2-3-5-14(12)17-10-15(13-6-8-21-9-7-13)16(11-19)18(20)22-17/h2-10H,1H3,(H2,20,22)
InChIKeyKJTSSPDDUDUVGH-UHFFFAOYSA-N
XLogP3.57
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-methylphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2-methylphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile (CID 5230351) is 2-amino-6-(2-methylphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2-methylphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2-methylphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile is Cc1ccccc1-c1cc(-c2ccncc2)c(C#N)c(N)n1.
What is the InChIKey of 2-amino-6-(2-methylphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile?
The InChIKey is KJTSSPDDUDUVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-12-4-2-3-5-14(12)17-10-15(13-6-8-21-9-7-13)16(11-19)18(20)22-17/h2-10H,1H3,(H2,20,22).
What are the key properties of 2-amino-6-(2-methylphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile?
2-amino-6-(2-methylphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile has a molecular weight of 286.34 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-methylphenyl)-4-pyridin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 5230351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).