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

C18H14N4 — CID 3365204

IUPAC2-amino-6-(4-methylphenyl)-4-pyridin-2-ylpyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccccn3)c(C#N)c(N)n2)cc1
InChIInChI=1S/C18H14N4/c1-12-5-7-13(8-6-12)17-10-14(15(11-19)18(20)22-17)16-4-2-3-9-21-16/h2-10H,1H3,(H2,20,22)
InChIKeyXRFVDPPAFCZTBZ-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.57
Rot. Bonds2

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

2-amino-6-(4-methylphenyl)-4-pyridin-2-ylpyridine-3-carbonitrile (PubChem CID 3365204) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-amino-6-(4-methylphenyl)-4-pyridin-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-methylphenyl)-4-pyridin-2-ylpyridine-3-carbonitrile
PubChem CID3365204
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name2-amino-6-(4-methylphenyl)-4-pyridin-2-ylpyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccccn3)c(C#N)c(N)n2)cc1
InChIInChI=1S/C18H14N4/c1-12-5-7-13(8-6-12)17-10-14(15(11-19)18(20)22-17)16-4-2-3-9-21-16/h2-10H,1H3,(H2,20,22)
InChIKeyXRFVDPPAFCZTBZ-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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Related Compounds

2-amino-6-(4-fluorophenyl)-4-pyridin-2-ylpyridine-3-carbonitrile
CID 3358943
2-amino-4-(2,5-dimethylphenyl)-6-phenylpyridine-3-carbonitrile
CID 3351973
2-amino-4-(3-chlorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3825642
2-amino-4-(4-ethoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3363551
2-amino-6-(2-fluorophenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119022
2-amino-4-(2-chloro-6-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3367991
2-amino-4-(4-tert-butylphenyl)-6-phenylpyridine-3-carbonitrile
CID 3350002
2-amino-6-(3-fluorophenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5118241
2-amino-6-(4-bromophenyl)-4-(2,4-dimethylphenyl)pyridine-3-carbonitrile
CID 3396959
2-amino-6-(4-bromophenyl)-4-(3-methylphenyl)pyridine-3-carbonitrile
CID 3395709
2-amino-4-(5-bromo-2-fluorophenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3366666
2-amino-6-(3-methoxyphenyl)-4-(4-methylphenyl)pyridine-3-carbonitrile
CID 5119909

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-methylphenyl)-4-pyridin-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-methylphenyl)-4-pyridin-2-ylpyridine-3-carbonitrile (CID 3365204) is 2-amino-6-(4-methylphenyl)-4-pyridin-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-methylphenyl)-4-pyridin-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-methylphenyl)-4-pyridin-2-ylpyridine-3-carbonitrile is Cc1ccc(-c2cc(-c3ccccn3)c(C#N)c(N)n2)cc1.
What is the InChIKey of 2-amino-6-(4-methylphenyl)-4-pyridin-2-ylpyridine-3-carbonitrile?
The InChIKey is XRFVDPPAFCZTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-12-5-7-13(8-6-12)17-10-14(15(11-19)18(20)22-17)16-4-2-3-9-21-16/h2-10H,1H3,(H2,20,22).
What are the key properties of 2-amino-6-(4-methylphenyl)-4-pyridin-2-ylpyridine-3-carbonitrile?
2-amino-6-(4-methylphenyl)-4-pyridin-2-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-(4-methylphenyl)-4-pyridin-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 3365204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).