4-(furan-2-yl)-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbonitrile

C14H14N4O2 — CID 135448846

IUPAC4-(furan-2-yl)-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccco2)nc(N2CCCCC2)[nH]c1=O
InChIInChI=1S/C14H14N4O2/c15-9-10-12(11-5-4-8-20-11)16-14(17-13(10)19)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7H2,(H,16,17,19)
InChIKeyJAKRCRJTTZABIC-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.89
Rot. Bonds2

About 4-(furan-2-yl)-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbonitrile

4-(furan-2-yl)-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbonitrile (PubChem CID 135448846) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-(furan-2-yl)-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(furan-2-yl)-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbonitrile
PubChem CID135448846
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name4-(furan-2-yl)-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccco2)nc(N2CCCCC2)[nH]c1=O
InChIInChI=1S/C14H14N4O2/c15-9-10-12(11-5-4-8-20-11)16-14(17-13(10)19)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7H2,(H,16,17,19)
InChIKeyJAKRCRJTTZABIC-UHFFFAOYSA-N
XLogP1.89
TPSA85.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_B(27)', 'substructure': 'N/A'}

Analyze 4-(furan-2-yl)-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 4-(furan-2-yl)-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbonitrile (CID 135448846) is 4-(furan-2-yl)-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(furan-2-yl)-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(furan-2-yl)-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbonitrile is N#Cc1c(-c2ccco2)nc(N2CCCCC2)[nH]c1=O.
What is the InChIKey of 4-(furan-2-yl)-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbonitrile?
The InChIKey is JAKRCRJTTZABIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c15-9-10-12(11-5-4-8-20-11)16-14(17-13(10)19)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7H2,(H,16,17,19).
What are the key properties of 4-(furan-2-yl)-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbonitrile?
4-(furan-2-yl)-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbonitrile has a molecular weight of 270.29 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-6-oxo-2-piperidin-1-yl-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 135448846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).