N-(2-amino-5-cyano-3-pyridinyl)-2,2,2-trifluoroacetamide

C8H5F3N4O — CID 149149602

IUPACN-(2-amino-5-cyano-3-pyridinyl)-2,2,2-trifluoroacetamide
SMILESN#Cc1cnc(N)c(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C8H5F3N4O/c9-8(10,11)7(16)15-5-1-4(2-12)3-14-6(5)13/h1,3H,(H2,13,14)(H,15,16)
InChIKeyWVEQYAJMBASOSI-UHFFFAOYSA-N
MW230.15 g/mol
LogP1.04
Rot. Bonds1

About N-(2-amino-5-cyano-3-pyridinyl)-2,2,2-trifluoroacetamide

N-(2-amino-5-cyano-3-pyridinyl)-2,2,2-trifluoroacetamide (PubChem CID 149149602) has the molecular formula C8H5F3N4O and a molecular weight of 230.15 g/mol. Its IUPAC name is N-(2-amino-5-cyano-3-pyridinyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-amino-5-cyano-3-pyridinyl)-2,2,2-trifluoroacetamide
PubChem CID149149602
Molecular FormulaC8H5F3N4O
Molecular Weight230.15 g/mol
Exact Mass230.04
IUPAC NameN-(2-amino-5-cyano-3-pyridinyl)-2,2,2-trifluoroacetamide
SMILESN#Cc1cnc(N)c(NC(=O)C(F)(F)F)c1
InChIInChI=1S/C8H5F3N4O/c9-8(10,11)7(16)15-5-1-4(2-12)3-14-6(5)13/h1,3H,(H2,13,14)(H,15,16)
InChIKeyWVEQYAJMBASOSI-UHFFFAOYSA-N
XLogP1.04
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-cyano-3-pyridinyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-amino-5-cyano-3-pyridinyl)-2,2,2-trifluoroacetamide (CID 149149602) is N-(2-amino-5-cyano-3-pyridinyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-amino-5-cyano-3-pyridinyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-amino-5-cyano-3-pyridinyl)-2,2,2-trifluoroacetamide is N#Cc1cnc(N)c(NC(=O)C(F)(F)F)c1.
What is the InChIKey of N-(2-amino-5-cyano-3-pyridinyl)-2,2,2-trifluoroacetamide?
The InChIKey is WVEQYAJMBASOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4O/c9-8(10,11)7(16)15-5-1-4(2-12)3-14-6(5)13/h1,3H,(H2,13,14)(H,15,16).
What are the key properties of N-(2-amino-5-cyano-3-pyridinyl)-2,2,2-trifluoroacetamide?
N-(2-amino-5-cyano-3-pyridinyl)-2,2,2-trifluoroacetamide has a molecular weight of 230.15 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-cyano-3-pyridinyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 149149602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).