N-methyl-2-oxo-5-piperazin-1-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C12H15F3N4O2 — CID 155571765

IUPACN-methyl-2-oxo-5-piperazin-1-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCNC(=O)c1cc(N2CCNCC2)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H15F3N4O2/c1-16-10(20)7-6-8(19-4-2-17-3-5-19)9(12(13,14)15)18-11(7)21/h6,17H,2-5H2,1H3,(H,16,20)(H,18,21)
InChIKeyRKBQVOZHQFPPMR-UHFFFAOYSA-N
MW304.27 g/mol
LogP0.16
Rot. Bonds2

About N-methyl-2-oxo-5-piperazin-1-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-methyl-2-oxo-5-piperazin-1-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155571765) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is N-methyl-2-oxo-5-piperazin-1-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-5-piperazin-1-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155571765
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC NameN-methyl-2-oxo-5-piperazin-1-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCNC(=O)c1cc(N2CCNCC2)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C12H15F3N4O2/c1-16-10(20)7-6-8(19-4-2-17-3-5-19)9(12(13,14)15)18-11(7)21/h6,17H,2-5H2,1H3,(H,16,20)(H,18,21)
InChIKeyRKBQVOZHQFPPMR-UHFFFAOYSA-N
XLogP0.16
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-5-piperazin-1-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-methyl-2-oxo-5-piperazin-1-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155571765) is N-methyl-2-oxo-5-piperazin-1-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-5-piperazin-1-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-oxo-5-piperazin-1-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is CNC(=O)c1cc(N2CCNCC2)c(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-methyl-2-oxo-5-piperazin-1-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is RKBQVOZHQFPPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c1-16-10(20)7-6-8(19-4-2-17-3-5-19)9(12(13,14)15)18-11(7)21/h6,17H,2-5H2,1H3,(H,16,20)(H,18,21).
What are the key properties of N-methyl-2-oxo-5-piperazin-1-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-methyl-2-oxo-5-piperazin-1-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 304.27 g/mol, XLogP of 0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-5-piperazin-1-yl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155571765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).