N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pent-4-enamide

C15H20FN3O2 — CID 90634155

IUPACN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pent-4-enamide
SMILESC=CCCC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C15H20FN3O2/c1-2-3-4-14(20)19-12-5-7-13(8-6-12)21-15-17-9-11(16)10-18-15/h2,9-10,12-13H,1,3-8H2,(H,19,20)
InChIKeyWBKCOOZVVUJXPC-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.39
Rot. Bonds6

About N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pent-4-enamide

N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pent-4-enamide (PubChem CID 90634155) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pent-4-enamide.

Molecular Properties

Compound NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pent-4-enamide
PubChem CID90634155
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC NameN-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pent-4-enamide
SMILESC=CCCC(=O)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C15H20FN3O2/c1-2-3-4-14(20)19-12-5-7-13(8-6-12)21-15-17-9-11(16)10-18-15/h2,9-10,12-13H,1,3-8H2,(H,19,20)
InChIKeyWBKCOOZVVUJXPC-UHFFFAOYSA-N
XLogP2.39
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pent-4-enamide 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 N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pent-4-enamide?
The IUPAC name of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pent-4-enamide (CID 90634155) is N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pent-4-enamide.
What is the SMILES notation for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pent-4-enamide?
The canonical SMILES for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pent-4-enamide is C=CCCC(=O)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pent-4-enamide?
The InChIKey is WBKCOOZVVUJXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-2-3-4-14(20)19-12-5-7-13(8-6-12)21-15-17-9-11(16)10-18-15/h2,9-10,12-13H,1,3-8H2,(H,19,20).
What are the key properties of N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pent-4-enamide?
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pent-4-enamide has a molecular weight of 293.34 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]pent-4-enamide is sourced from PubChem (CID 90634155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).