2-amino-4-(5-cyano-1-ethylpyrrol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile

C18H16N6 — CID 56754014

IUPAC2-amino-4-(5-cyano-1-ethylpyrrol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile
SMILESCCn1cc(-c2cc(-c3ccn(C)c3)nc(N)c2C#N)cc1C#N
InChIInChI=1S/C18H16N6/c1-3-24-11-13(6-14(24)8-19)15-7-17(12-4-5-23(2)10-12)22-18(21)16(15)9-20/h4-7,10-11H,3H2,1-2H3,(H2,21,22)
InChIKeyPLPAZELUFOFRTM-UHFFFAOYSA-N
MW316.37 g/mol
LogP2.90
Rot. Bonds3

About 2-amino-4-(5-cyano-1-ethylpyrrol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile

2-amino-4-(5-cyano-1-ethylpyrrol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile (PubChem CID 56754014) has the molecular formula C18H16N6 and a molecular weight of 316.37 g/mol. Its IUPAC name is 2-amino-4-(5-cyano-1-ethylpyrrol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-cyano-1-ethylpyrrol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile
PubChem CID56754014
Molecular FormulaC18H16N6
Molecular Weight316.37 g/mol
Exact Mass316.14
IUPAC Name2-amino-4-(5-cyano-1-ethylpyrrol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile
SMILESCCn1cc(-c2cc(-c3ccn(C)c3)nc(N)c2C#N)cc1C#N
InChIInChI=1S/C18H16N6/c1-3-24-11-13(6-14(24)8-19)15-7-17(12-4-5-23(2)10-12)22-18(21)16(15)9-20/h4-7,10-11H,3H2,1-2H3,(H2,21,22)
InChIKeyPLPAZELUFOFRTM-UHFFFAOYSA-N
XLogP2.90
TPSA96.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-cyano-1-ethylpyrrol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(5-cyano-1-ethylpyrrol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile (CID 56754014) is 2-amino-4-(5-cyano-1-ethylpyrrol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(5-cyano-1-ethylpyrrol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(5-cyano-1-ethylpyrrol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile is CCn1cc(-c2cc(-c3ccn(C)c3)nc(N)c2C#N)cc1C#N.
What is the InChIKey of 2-amino-4-(5-cyano-1-ethylpyrrol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile?
The InChIKey is PLPAZELUFOFRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6/c1-3-24-11-13(6-14(24)8-19)15-7-17(12-4-5-23(2)10-12)22-18(21)16(15)9-20/h4-7,10-11H,3H2,1-2H3,(H2,21,22).
What are the key properties of 2-amino-4-(5-cyano-1-ethylpyrrol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile?
2-amino-4-(5-cyano-1-ethylpyrrol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile has a molecular weight of 316.37 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-cyano-1-ethylpyrrol-3-yl)-6-(1-methylpyrrol-3-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 56754014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).