N-(furan-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C13H11F3N2O3 — CID 47017339

IUPACN-(furan-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C13H11F3N2O3/c1-18(7-8-3-2-6-21-8)12(20)9-4-5-10(13(14,15)16)17-11(9)19/h2-6H,7H2,1H3,(H,17,19)
InChIKeyMOPHDTXGSCRTOK-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.26
Rot. Bonds3

About N-(furan-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(furan-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 47017339) has the molecular formula C13H11F3N2O3 and a molecular weight of 300.24 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID47017339
Molecular FormulaC13H11F3N2O3
Molecular Weight300.24 g/mol
Exact Mass300.07
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C13H11F3N2O3/c1-18(7-8-3-2-6-21-8)12(20)9-4-5-10(13(14,15)16)17-11(9)19/h2-6H,7H2,1H3,(H,17,19)
InChIKeyMOPHDTXGSCRTOK-UHFFFAOYSA-N
XLogP2.26
TPSA66.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 47017339) is N-(furan-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CN(Cc1ccco1)C(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is MOPHDTXGSCRTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3/c1-18(7-8-3-2-6-21-8)12(20)9-4-5-10(13(14,15)16)17-11(9)19/h2-6H,7H2,1H3,(H,17,19).
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(furan-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 300.24 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 47017339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).