1-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxamide

C12H11F3N4O — CID 121422673

IUPAC1-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxamide
SMILESN#Cc1ncc(NC(=O)C2(N)CCC2)cc1C(F)(F)F
InChIInChI=1S/C12H11F3N4O/c13-12(14,15)8-4-7(6-18-9(8)5-16)19-10(20)11(17)2-1-3-11/h4,6H,1-3,17H2,(H,19,20)
InChIKeyTVOWJVSSBFMCFC-UHFFFAOYSA-N
MW284.24 g/mol
LogP1.79
Rot. Bonds2

About 1-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxamide

1-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxamide (PubChem CID 121422673) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 1-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxamide
PubChem CID121422673
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name1-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxamide
SMILESN#Cc1ncc(NC(=O)C2(N)CCC2)cc1C(F)(F)F
InChIInChI=1S/C12H11F3N4O/c13-12(14,15)8-4-7(6-18-9(8)5-16)19-10(20)11(17)2-1-3-11/h4,6H,1-3,17H2,(H,19,20)
InChIKeyTVOWJVSSBFMCFC-UHFFFAOYSA-N
XLogP1.79
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxamide (CID 121422673) is 1-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxamide is N#Cc1ncc(NC(=O)C2(N)CCC2)cc1C(F)(F)F.
What is the InChIKey of 1-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxamide?
The InChIKey is TVOWJVSSBFMCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c13-12(14,15)8-4-7(6-18-9(8)5-16)19-10(20)11(17)2-1-3-11/h4,6H,1-3,17H2,(H,19,20).
What are the key properties of 1-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxamide?
1-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxamide has a molecular weight of 284.24 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 121422673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).