N-methyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide

C10H11F3N2O2 — CID 103337351

IUPACN-methyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide
SMILESCN(CCC(F)(F)F)C(=O)c1c[nH]ccc1=O
InChIInChI=1S/C10H11F3N2O2/c1-15(5-3-10(11,12)13)9(17)7-6-14-4-2-8(7)16/h2,4,6H,3,5H2,1H3,(H,14,16)
InChIKeyKFEXJZNECMAHJQ-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.40
Rot. Bonds3

About N-methyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide

N-methyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide (PubChem CID 103337351) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is N-methyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide
PubChem CID103337351
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC NameN-methyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide
SMILESCN(CCC(F)(F)F)C(=O)c1c[nH]ccc1=O
InChIInChI=1S/C10H11F3N2O2/c1-15(5-3-10(11,12)13)9(17)7-6-14-4-2-8(7)16/h2,4,6H,3,5H2,1H3,(H,14,16)
InChIKeyKFEXJZNECMAHJQ-UHFFFAOYSA-N
XLogP1.40
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-methyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide (CID 103337351) is N-methyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-methyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide is CN(CCC(F)(F)F)C(=O)c1c[nH]ccc1=O.
What is the InChIKey of N-methyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide?
The InChIKey is KFEXJZNECMAHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-15(5-3-10(11,12)13)9(17)7-6-14-4-2-8(7)16/h2,4,6H,3,5H2,1H3,(H,14,16).
What are the key properties of N-methyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide?
N-methyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide has a molecular weight of 248.20 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103337351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).