2-amino-5-phenyl-1-pyridin-2-ylpyrrole-3-carbonitrile

C16H12N4 — CID 71457777

IUPAC2-amino-5-phenyl-1-pyridin-2-ylpyrrole-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)n(-c2ccccn2)c1N
InChIInChI=1S/C16H12N4/c17-11-13-10-14(12-6-2-1-3-7-12)20(16(13)18)15-8-4-5-9-19-15/h1-10H,18H2
InChIKeyARPIBFCWPPMIOH-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.99
Rot. Bonds2

About 2-amino-5-phenyl-1-pyridin-2-ylpyrrole-3-carbonitrile

2-amino-5-phenyl-1-pyridin-2-ylpyrrole-3-carbonitrile (PubChem CID 71457777) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-amino-5-phenyl-1-pyridin-2-ylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-5-phenyl-1-pyridin-2-ylpyrrole-3-carbonitrile
PubChem CID71457777
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name2-amino-5-phenyl-1-pyridin-2-ylpyrrole-3-carbonitrile
SMILESN#Cc1cc(-c2ccccc2)n(-c2ccccn2)c1N
InChIInChI=1S/C16H12N4/c17-11-13-10-14(12-6-2-1-3-7-12)20(16(13)18)15-8-4-5-9-19-15/h1-10H,18H2
InChIKeyARPIBFCWPPMIOH-UHFFFAOYSA-N
XLogP2.99
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-phenyl-1-pyridin-2-ylpyrrole-3-carbonitrile?
The IUPAC name of 2-amino-5-phenyl-1-pyridin-2-ylpyrrole-3-carbonitrile (CID 71457777) is 2-amino-5-phenyl-1-pyridin-2-ylpyrrole-3-carbonitrile.
What is the SMILES notation for 2-amino-5-phenyl-1-pyridin-2-ylpyrrole-3-carbonitrile?
The canonical SMILES for 2-amino-5-phenyl-1-pyridin-2-ylpyrrole-3-carbonitrile is N#Cc1cc(-c2ccccc2)n(-c2ccccn2)c1N.
What is the InChIKey of 2-amino-5-phenyl-1-pyridin-2-ylpyrrole-3-carbonitrile?
The InChIKey is ARPIBFCWPPMIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c17-11-13-10-14(12-6-2-1-3-7-12)20(16(13)18)15-8-4-5-9-19-15/h1-10H,18H2.
What are the key properties of 2-amino-5-phenyl-1-pyridin-2-ylpyrrole-3-carbonitrile?
2-amino-5-phenyl-1-pyridin-2-ylpyrrole-3-carbonitrile has a molecular weight of 260.30 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-phenyl-1-pyridin-2-ylpyrrole-3-carbonitrile is sourced from PubChem (CID 71457777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).