2-amino-4-(4-chlorophenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile

C17H12ClN3O — CID 658940

IUPAC2-amino-4-(4-chlorophenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(N)n2)o1
InChIInChI=1S/C17H12ClN3O/c1-10-2-7-16(22-10)15-8-13(14(9-19)17(20)21-15)11-3-5-12(18)6-4-11/h2-8H,1H3,(H2,20,21)
InChIKeyVODMZOFVPVXYQT-UHFFFAOYSA-N
MW309.76 g/mol
LogP4.42
Rot. Bonds2

About 2-amino-4-(4-chlorophenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile

2-amino-4-(4-chlorophenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile (PubChem CID 658940) has the molecular formula C17H12ClN3O and a molecular weight of 309.76 g/mol. Its IUPAC name is 2-amino-4-(4-chlorophenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-chlorophenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile
PubChem CID658940
Molecular FormulaC17H12ClN3O
Molecular Weight309.76 g/mol
Exact Mass309.07
IUPAC Name2-amino-4-(4-chlorophenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(N)n2)o1
InChIInChI=1S/C17H12ClN3O/c1-10-2-7-16(22-10)15-8-13(14(9-19)17(20)21-15)11-3-5-12(18)6-4-11/h2-8H,1H3,(H2,20,21)
InChIKeyVODMZOFVPVXYQT-UHFFFAOYSA-N
XLogP4.42
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-chlorophenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-chlorophenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile (CID 658940) is 2-amino-4-(4-chlorophenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-chlorophenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-chlorophenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile is Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(N)n2)o1.
What is the InChIKey of 2-amino-4-(4-chlorophenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile?
The InChIKey is VODMZOFVPVXYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O/c1-10-2-7-16(22-10)15-8-13(14(9-19)17(20)21-15)11-3-5-12(18)6-4-11/h2-8H,1H3,(H2,20,21).
What are the key properties of 2-amino-4-(4-chlorophenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile?
2-amino-4-(4-chlorophenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile has a molecular weight of 309.76 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-chlorophenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 658940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).