2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide

C14H13ClF3N5O2 — CID 47028002

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCCNc1cnccn1
InChIInChI=1S/C14H13ClF3N5O2/c15-10-5-9(14(16,17)18)7-23(13(10)25)8-12(24)22-4-3-21-11-6-19-1-2-20-11/h1-2,5-7H,3-4,8H2,(H,20,21)(H,22,24)
InChIKeyFVSKHRAADBNHBA-UHFFFAOYSA-N
MW375.74 g/mol
LogP1.54
Rot. Bonds6

About 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide (PubChem CID 47028002) has the molecular formula C14H13ClF3N5O2 and a molecular weight of 375.74 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide
PubChem CID47028002
Molecular FormulaC14H13ClF3N5O2
Molecular Weight375.74 g/mol
Exact Mass375.07
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCCNc1cnccn1
InChIInChI=1S/C14H13ClF3N5O2/c15-10-5-9(14(16,17)18)7-23(13(10)25)8-12(24)22-4-3-21-11-6-19-1-2-20-11/h1-2,5-7H,3-4,8H2,(H,20,21)(H,22,24)
InChIKeyFVSKHRAADBNHBA-UHFFFAOYSA-N
XLogP1.54
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.74
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide 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 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide (CID 47028002) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide is O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCCNc1cnccn1.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide?
The InChIKey is FVSKHRAADBNHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N5O2/c15-10-5-9(14(16,17)18)7-23(13(10)25)8-12(24)22-4-3-21-11-6-19-1-2-20-11/h1-2,5-7H,3-4,8H2,(H,20,21)(H,22,24).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide has a molecular weight of 375.74 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrazin-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 47028002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).