2-amino-6-(2,4-dichlorophenyl)-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile

C17H11Cl2N3O — CID 3339403

IUPAC2-amino-6-(2,4-dichlorophenyl)-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile
SMILESCc1c(-c2ccc(Cl)cc2Cl)nc(N)c(C#N)c1-c1ccco1
InChIInChI=1S/C17H11Cl2N3O/c1-9-15(14-3-2-6-23-14)12(8-20)17(21)22-16(9)11-5-4-10(18)7-13(11)19/h2-7H,1H3,(H2,21,22)
InChIKeyQOOJPRYSTUEWMO-UHFFFAOYSA-N
MW344.20 g/mol
LogP5.08
Rot. Bonds2

About 2-amino-6-(2,4-dichlorophenyl)-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile

2-amino-6-(2,4-dichlorophenyl)-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile (PubChem CID 3339403) has the molecular formula C17H11Cl2N3O and a molecular weight of 344.20 g/mol. Its IUPAC name is 2-amino-6-(2,4-dichlorophenyl)-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(2,4-dichlorophenyl)-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile
PubChem CID3339403
Molecular FormulaC17H11Cl2N3O
Molecular Weight344.20 g/mol
Exact Mass343.03
IUPAC Name2-amino-6-(2,4-dichlorophenyl)-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile
SMILESCc1c(-c2ccc(Cl)cc2Cl)nc(N)c(C#N)c1-c1ccco1
InChIInChI=1S/C17H11Cl2N3O/c1-9-15(14-3-2-6-23-14)12(8-20)17(21)22-16(9)11-5-4-10(18)7-13(11)19/h2-7H,1H3,(H2,21,22)
InChIKeyQOOJPRYSTUEWMO-UHFFFAOYSA-N
XLogP5.08
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.20
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,4-dichlorophenyl)-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(2,4-dichlorophenyl)-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile (CID 3339403) is 2-amino-6-(2,4-dichlorophenyl)-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(2,4-dichlorophenyl)-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(2,4-dichlorophenyl)-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile is Cc1c(-c2ccc(Cl)cc2Cl)nc(N)c(C#N)c1-c1ccco1.
What is the InChIKey of 2-amino-6-(2,4-dichlorophenyl)-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile?
The InChIKey is QOOJPRYSTUEWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O/c1-9-15(14-3-2-6-23-14)12(8-20)17(21)22-16(9)11-5-4-10(18)7-13(11)19/h2-7H,1H3,(H2,21,22).
What are the key properties of 2-amino-6-(2,4-dichlorophenyl)-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile?
2-amino-6-(2,4-dichlorophenyl)-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile has a molecular weight of 344.20 g/mol, XLogP of 5.08, 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-dichlorophenyl)-4-(furan-2-yl)-5-methylpyridine-3-carbonitrile is sourced from PubChem (CID 3339403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).