6-methyl-4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide

C11H11F3N2O2 — CID 106213881

IUPAC6-methyl-4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2(C(F)(F)F)CC2)c[nH]1
InChIInChI=1S/C11H11F3N2O2/c1-6-4-8(17)7(5-15-6)9(18)16-10(2-3-10)11(12,13)14/h4-5H,2-3H2,1H3,(H,15,17)(H,16,18)
InChIKeyIRTOAFGPTVNWPK-UHFFFAOYSA-N
MW260.21 g/mol
LogP1.51
Rot. Bonds2

About 6-methyl-4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide

6-methyl-4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide (PubChem CID 106213881) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide
PubChem CID106213881
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Name6-methyl-4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NC2(C(F)(F)F)CC2)c[nH]1
InChIInChI=1S/C11H11F3N2O2/c1-6-4-8(17)7(5-15-6)9(18)16-10(2-3-10)11(12,13)14/h4-5H,2-3H2,1H3,(H,15,17)(H,16,18)
InChIKeyIRTOAFGPTVNWPK-UHFFFAOYSA-N
XLogP1.51
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide (CID 106213881) is 6-methyl-4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NC2(C(F)(F)F)CC2)c[nH]1.
What is the InChIKey of 6-methyl-4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide?
The InChIKey is IRTOAFGPTVNWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c1-6-4-8(17)7(5-15-6)9(18)16-10(2-3-10)11(12,13)14/h4-5H,2-3H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 6-methyl-4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide?
6-methyl-4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide has a molecular weight of 260.21 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 106213881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).