2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide

C14H14F3N5O2 — CID 47028663

IUPAC2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NCCNc1ncccn1
InChIInChI=1S/C14H14F3N5O2/c15-14(16,17)10-2-3-12(24)22(8-10)9-11(23)18-6-7-21-13-19-4-1-5-20-13/h1-5,8H,6-7,9H2,(H,18,23)(H,19,20,21)
InChIKeyRTVQUVFJWDZZRX-UHFFFAOYSA-N
MW341.29 g/mol
LogP0.89
Rot. Bonds6

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

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide (PubChem CID 47028663) has the molecular formula C14H14F3N5O2 and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
PubChem CID47028663
Molecular FormulaC14H14F3N5O2
Molecular Weight341.29 g/mol
Exact Mass341.11
IUPAC Name2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NCCNc1ncccn1
InChIInChI=1S/C14H14F3N5O2/c15-14(16,17)10-2-3-12(24)22(8-10)9-11(23)18-6-7-21-13-19-4-1-5-20-13/h1-5,8H,6-7,9H2,(H,18,23)(H,19,20,21)
InChIKeyRTVQUVFJWDZZRX-UHFFFAOYSA-N
XLogP0.89
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide?
The IUPAC name of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide (CID 47028663) is 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide.
What is the SMILES notation for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide?
The canonical SMILES for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)NCCNc1ncccn1.
What is the InChIKey of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide?
The InChIKey is RTVQUVFJWDZZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O2/c15-14(16,17)10-2-3-12(24)22(8-10)9-11(23)18-6-7-21-13-19-4-1-5-20-13/h1-5,8H,6-7,9H2,(H,18,23)(H,19,20,21).
What are the key properties of 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide?
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide has a molecular weight of 341.29 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(pyrimidin-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 47028663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).