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

C15H21F3N4O2 — CID 120811241

IUPAC4,6-dimethyl-2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCC(N2CCNCC2)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C15H21F3N4O2/c1-9-7-10(2)21-14(24)12(9)13(23)20-8-11(15(16,17)18)22-5-3-19-4-6-22/h7,11,19H,3-6,8H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyGJCNVXTVUFJYJO-UHFFFAOYSA-N
MW346.35 g/mol
LogP0.56
Rot. Bonds4

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

4,6-dimethyl-2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide (PubChem CID 120811241) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 4,6-dimethyl-2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide
PubChem CID120811241
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Name4,6-dimethyl-2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)NCC(N2CCNCC2)C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C15H21F3N4O2/c1-9-7-10(2)21-14(24)12(9)13(23)20-8-11(15(16,17)18)22-5-3-19-4-6-22/h7,11,19H,3-6,8H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyGJCNVXTVUFJYJO-UHFFFAOYSA-N
XLogP0.56
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 4,6-dimethyl-2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide (CID 120811241) is 4,6-dimethyl-2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4,6-dimethyl-2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 4,6-dimethyl-2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)NCC(N2CCNCC2)C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 4,6-dimethyl-2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide?
The InChIKey is GJCNVXTVUFJYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-9-7-10(2)21-14(24)12(9)13(23)20-8-11(15(16,17)18)22-5-3-19-4-6-22/h7,11,19H,3-6,8H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 4,6-dimethyl-2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide?
4,6-dimethyl-2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 120811241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).