2-amino-6-(2,4-dimethylphenyl)-4-(furan-2-yl)pyridine-3-carbonitrile

C18H15N3O — CID 3480329

IUPAC2-amino-6-(2,4-dimethylphenyl)-4-(furan-2-yl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccco3)c(C#N)c(N)n2)c(C)c1
InChIInChI=1S/C18H15N3O/c1-11-5-6-13(12(2)8-11)16-9-14(17-4-3-7-22-17)15(10-19)18(20)21-16/h3-9H,1-2H3,(H2,20,21)
InChIKeyKJSLCFHCZRYAAQ-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.08
Rot. Bonds2

About 2-amino-6-(2,4-dimethylphenyl)-4-(furan-2-yl)pyridine-3-carbonitrile

2-amino-6-(2,4-dimethylphenyl)-4-(furan-2-yl)pyridine-3-carbonitrile (PubChem CID 3480329) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-amino-6-(2,4-dimethylphenyl)-4-(furan-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2,4-dimethylphenyl)-4-(furan-2-yl)pyridine-3-carbonitrile
PubChem CID3480329
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC Name2-amino-6-(2,4-dimethylphenyl)-4-(furan-2-yl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccco3)c(C#N)c(N)n2)c(C)c1
InChIInChI=1S/C18H15N3O/c1-11-5-6-13(12(2)8-11)16-9-14(17-4-3-7-22-17)15(10-19)18(20)21-16/h3-9H,1-2H3,(H2,20,21)
InChIKeyKJSLCFHCZRYAAQ-UHFFFAOYSA-N
XLogP4.08
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(furan-2-yl)-6-(2-methoxyphenyl)pyridine-3-carbonitrile
CID 5153770
2-amino-6-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 3464753
2-amino-4-(2,5-dimethylphenyl)-6-(2-methylphenyl)pyridine-3-carbonitrile
CID 5230497
2-amino-4-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
CID 10449235
2-amino-6-(2,4-dimethylphenyl)-4-(2-ethoxyphenyl)pyridine-3-carbonitrile
CID 3464758
2-amino-4,6-bis(2,5-dimethylphenyl)pyridine-3-carbonitrile
CID 3513608
2-amino-6-(furan-2-yl)-4-naphthalen-2-ylpyridine-3-carbonitrile
CID 166594868
2-amino-4-(4-fluorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile
CID 10446308
2-amino-4-(2-fluorophenyl)-6-(furan-2-yl)pyridine-3-carbonitrile
CID 10039244
2-amino-6-(4-bromophenyl)-4-(2,4-dimethylphenyl)pyridine-3-carbonitrile
CID 3396959
2-amino-6-(2,4-dimethylphenyl)-4-(4-phenylmethoxyphenyl)pyridine-3-carbonitrile
CID 3470401
methyl 4-[2-amino-3-cyano-6-(2,4-dimethylphenyl)-4-pyridinyl]benzoate
CID 3470406

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,4-dimethylphenyl)-4-(furan-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2,4-dimethylphenyl)-4-(furan-2-yl)pyridine-3-carbonitrile (CID 3480329) is 2-amino-6-(2,4-dimethylphenyl)-4-(furan-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2,4-dimethylphenyl)-4-(furan-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2,4-dimethylphenyl)-4-(furan-2-yl)pyridine-3-carbonitrile is Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(N)n2)c(C)c1.
What is the InChIKey of 2-amino-6-(2,4-dimethylphenyl)-4-(furan-2-yl)pyridine-3-carbonitrile?
The InChIKey is KJSLCFHCZRYAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-11-5-6-13(12(2)8-11)16-9-14(17-4-3-7-22-17)15(10-19)18(20)21-16/h3-9H,1-2H3,(H2,20,21).
What are the key properties of 2-amino-6-(2,4-dimethylphenyl)-4-(furan-2-yl)pyridine-3-carbonitrile?
2-amino-6-(2,4-dimethylphenyl)-4-(furan-2-yl)pyridine-3-carbonitrile has a molecular weight of 289.34 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,4-dimethylphenyl)-4-(furan-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 3480329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).