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

C15H22ClF3N4O2 — CID 120811240

IUPAC4,6-dimethyl-2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride
SMILESCc1cc(C)c(C(=O)NCC(N2CCNCC2)C(F)(F)F)c(=O)[nH]1.Cl
InChIInChI=1S/C15H21F3N4O2.ClH/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);1H
InChIKeyPTFWCKCFYFCLKT-UHFFFAOYSA-N
MW382.81 g/mol
LogP0.98
Rot. Bonds4

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

4,6-dimethyl-2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride (PubChem CID 120811240) has the molecular formula C15H22ClF3N4O2 and a molecular weight of 382.81 g/mol. Its IUPAC name is 4,6-dimethyl-2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4,6-dimethyl-2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride
PubChem CID120811240
Molecular FormulaC15H22ClF3N4O2
Molecular Weight382.81 g/mol
Exact Mass382.14
IUPAC Name4,6-dimethyl-2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride
SMILESCc1cc(C)c(C(=O)NCC(N2CCNCC2)C(F)(F)F)c(=O)[nH]1.Cl
InChIInChI=1S/C15H21F3N4O2.ClH/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);1H
InChIKeyPTFWCKCFYFCLKT-UHFFFAOYSA-N
XLogP0.98
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 50.98
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;hydrochloride?
The IUPAC name of 4,6-dimethyl-2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride (CID 120811240) is 4,6-dimethyl-2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for 4,6-dimethyl-2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for 4,6-dimethyl-2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride is Cc1cc(C)c(C(=O)NCC(N2CCNCC2)C(F)(F)F)c(=O)[nH]1.Cl.
What is the InChIKey of 4,6-dimethyl-2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride?
The InChIKey is PTFWCKCFYFCLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N4O2.ClH/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);1H.
What are the key properties of 4,6-dimethyl-2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride?
4,6-dimethyl-2-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyridine-3-carboxamide;hydrochloride has a molecular weight of 382.81 g/mol, XLogP of 0.98, 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;hydrochloride is sourced from PubChem (CID 120811240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).