5-(cyclohexylamino)-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile

C18H19N3O — CID 140970712

IUPAC5-(cyclohexylamino)-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)c(NC2CCCCC2)c[nH]c1=O
InChIInChI=1S/C18H19N3O/c19-11-15-17(13-7-3-1-4-8-13)16(12-20-18(15)22)21-14-9-5-2-6-10-14/h1,3-4,7-8,12,14,21H,2,5-6,9-10H2,(H,20,22)
InChIKeyIWPXCGFRCMZXIM-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.66
Rot. Bonds3

About 5-(cyclohexylamino)-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile

5-(cyclohexylamino)-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile (PubChem CID 140970712) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-(cyclohexylamino)-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(cyclohexylamino)-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile
PubChem CID140970712
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name5-(cyclohexylamino)-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccccc2)c(NC2CCCCC2)c[nH]c1=O
InChIInChI=1S/C18H19N3O/c19-11-15-17(13-7-3-1-4-8-13)16(12-20-18(15)22)21-14-9-5-2-6-10-14/h1,3-4,7-8,12,14,21H,2,5-6,9-10H2,(H,20,22)
InChIKeyIWPXCGFRCMZXIM-UHFFFAOYSA-N
XLogP3.66
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-(cyclohexylamino)-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile (CID 140970712) is 5-(cyclohexylamino)-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-(cyclohexylamino)-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-(cyclohexylamino)-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile is N#Cc1c(-c2ccccc2)c(NC2CCCCC2)c[nH]c1=O.
What is the InChIKey of 5-(cyclohexylamino)-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile?
The InChIKey is IWPXCGFRCMZXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c19-11-15-17(13-7-3-1-4-8-13)16(12-20-18(15)22)21-14-9-5-2-6-10-14/h1,3-4,7-8,12,14,21H,2,5-6,9-10H2,(H,20,22).
What are the key properties of 5-(cyclohexylamino)-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile?
5-(cyclohexylamino)-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile has a molecular weight of 293.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 140970712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).