6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide

C14H19F3N4O2 — CID 120812843

IUPAC6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC(N2CCNCC2)C(F)(F)F)c[nH]1
InChIInChI=1S/C14H19F3N4O2/c1-9-6-11(22)10(7-19-9)13(23)20-8-12(14(15,16)17)21-4-2-18-3-5-21/h6-7,12,18H,2-5,8H2,1H3,(H,19,22)(H,20,23)
InChIKeyREHOLITYAXMMNY-UHFFFAOYSA-N
MW332.33 g/mol
LogP0.25
Rot. Bonds4

About 6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide

6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide (PubChem CID 120812843) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide
PubChem CID120812843
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC Name6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC(N2CCNCC2)C(F)(F)F)c[nH]1
InChIInChI=1S/C14H19F3N4O2/c1-9-6-11(22)10(7-19-9)13(23)20-8-12(14(15,16)17)21-4-2-18-3-5-21/h6-7,12,18H,2-5,8H2,1H3,(H,19,22)(H,20,23)
InChIKeyREHOLITYAXMMNY-UHFFFAOYSA-N
XLogP0.25
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide (CID 120812843) is 6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)NCC(N2CCNCC2)C(F)(F)F)c[nH]1.
What is the InChIKey of 6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide?
The InChIKey is REHOLITYAXMMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c1-9-6-11(22)10(7-19-9)13(23)20-8-12(14(15,16)17)21-4-2-18-3-5-21/h6-7,12,18H,2-5,8H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide?
6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 120812843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).