N-butyl-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide

C13H17F3N2O2 — CID 103716722

IUPACN-butyl-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C13H17F3N2O2/c1-3-4-5-18(8-13(14,15)16)12(20)10-7-17-9(2)6-11(10)19/h6-7H,3-5,8H2,1-2H3,(H,17,19)
InChIKeySVTVAIPFKNCCHC-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.49
Rot. Bonds5

About N-butyl-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide

N-butyl-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide (PubChem CID 103716722) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-butyl-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
PubChem CID103716722
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC NameN-butyl-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)c1c[nH]c(C)cc1=O
InChIInChI=1S/C13H17F3N2O2/c1-3-4-5-18(8-13(14,15)16)12(20)10-7-17-9(2)6-11(10)19/h6-7H,3-5,8H2,1-2H3,(H,17,19)
InChIKeySVTVAIPFKNCCHC-UHFFFAOYSA-N
XLogP2.49
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-butyl-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide (CID 103716722) is N-butyl-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-butyl-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide is CCCCN(CC(F)(F)F)C(=O)c1c[nH]c(C)cc1=O.
What is the InChIKey of N-butyl-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The InChIKey is SVTVAIPFKNCCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-3-4-5-18(8-13(14,15)16)12(20)10-7-17-9(2)6-11(10)19/h6-7H,3-5,8H2,1-2H3,(H,17,19).
What are the key properties of N-butyl-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
N-butyl-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide has a molecular weight of 290.28 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-methyl-4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103716722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).