N-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide

C12H15F3N2O2 — CID 60779384

IUPACN-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H15F3N2O2/c1-8(2)6-17(7-12(13,14)15)11(19)9-3-4-10(18)16-5-9/h3-5,8H,6-7H2,1-2H3,(H,16,18)
InChIKeyKLDNGSKDCJJRAS-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.04
Rot. Bonds4

About N-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide

N-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide (PubChem CID 60779384) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is N-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
PubChem CID60779384
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC NameN-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H15F3N2O2/c1-8(2)6-17(7-12(13,14)15)11(19)9-3-4-10(18)16-5-9/h3-5,8H,6-7H2,1-2H3,(H,16,18)
InChIKeyKLDNGSKDCJJRAS-UHFFFAOYSA-N
XLogP2.04
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide (CID 60779384) is N-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide is CC(C)CN(CC(F)(F)F)C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The InChIKey is KLDNGSKDCJJRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-8(2)6-17(7-12(13,14)15)11(19)9-3-4-10(18)16-5-9/h3-5,8H,6-7H2,1-2H3,(H,16,18).
What are the key properties of N-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
N-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 60779384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).